REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1o02_1_A DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT EVKTVTVKVP QKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.576 177.584 -0.013 0.000 1.274 7 A CA 0.000 52.052 52.037 0.025 0.000 0.836 7 A CB 0.000 19.022 19.000 0.036 0.000 0.831 8 V N 3.056 122.930 119.914 -0.068 0.000 2.435 8 V HA 0.516 4.635 4.120 -0.000 0.000 0.290 8 V C -1.945 174.042 176.094 -0.180 0.000 1.030 8 V CA -1.421 60.730 62.300 -0.248 0.000 0.881 8 V CB 1.346 33.044 31.823 -0.207 0.000 0.983 8 V HN 0.785 nan 8.190 nan 0.000 0.445 9 P HA 0.305 nan 4.420 nan 0.000 0.271 9 P C -0.248 177.056 177.300 0.008 0.000 1.216 9 P CA -0.124 62.923 63.100 -0.089 0.000 0.776 9 P CB 0.513 32.172 31.700 -0.068 0.000 0.881 10 A N 5.157 127.972 122.820 -0.008 0.000 2.548 10 A HA 0.263 4.583 4.320 -0.000 0.000 0.247 10 A C -1.642 175.866 177.584 -0.126 0.000 1.067 10 A CA -0.604 51.404 52.037 -0.048 0.000 0.757 10 A CB -1.037 17.931 19.000 -0.053 0.000 0.996 10 A HN 0.435 nan 8.150 nan 0.000 0.504 11 P HA 0.147 nan 4.420 nan 0.000 0.279 11 P C -0.838 176.228 177.300 -0.390 0.000 1.252 11 P CA -0.716 62.035 63.100 -0.581 0.000 0.811 11 P CB 0.787 31.686 31.700 -1.336 0.000 1.035 12 N N 1.543 120.057 118.700 -0.311 0.000 2.462 12 N HA 0.043 4.782 4.740 -0.000 0.000 0.242 12 N C 0.759 175.956 175.510 -0.522 0.000 1.010 12 N CA 0.034 52.915 53.050 -0.281 0.000 0.939 12 N CB 0.442 38.863 38.487 -0.110 0.000 1.127 12 N HN 0.248 nan 8.380 nan 0.000 0.509 13 Q N 1.718 121.074 119.800 -0.739 0.000 2.500 13 Q HA -0.039 4.301 4.340 -0.000 0.000 0.213 13 Q C -0.224 175.332 176.000 -0.741 0.000 0.974 13 Q CA 0.956 55.983 55.803 -1.295 0.000 0.918 13 Q CB 0.220 28.367 28.738 -0.986 0.000 0.980 13 Q HN 0.624 nan 8.270 nan 0.000 0.505 14 Q N 0.890 120.452 119.800 -0.397 0.000 3.484 14 Q HA 0.236 4.576 4.340 -0.000 0.000 0.255 14 Q C -2.493 173.420 176.000 -0.146 0.000 0.909 14 Q CA -1.419 54.255 55.803 -0.215 0.000 0.774 14 Q CB 1.440 30.076 28.738 -0.170 0.000 1.431 14 Q HN 0.101 nan 8.270 nan 0.000 0.423 15 P HA -0.022 nan 4.420 nan 0.000 0.271 15 P C -0.415 176.854 177.300 -0.052 0.000 1.216 15 P CA -0.039 63.047 63.100 -0.024 0.000 0.776 15 P CB 1.118 32.777 31.700 -0.068 0.000 0.881 16 E N 1.749 121.907 120.200 -0.069 0.000 2.354 16 E HA 0.205 4.555 4.350 -0.000 0.000 0.269 16 E C -0.790 175.510 176.600 -0.499 0.000 1.036 16 E CA -0.635 55.558 56.400 -0.346 0.000 0.876 16 E CB 0.703 30.083 29.700 -0.534 0.000 1.009 16 E HN 0.152 nan 8.360 nan 0.000 0.416 17 V N 6.210 125.848 119.914 -0.460 0.000 2.407 17 V HA 0.121 4.241 4.120 -0.000 0.000 0.278 17 V C 0.083 175.896 176.094 -0.467 0.000 1.037 17 V CA -0.031 62.077 62.300 -0.319 0.000 0.900 17 V CB 0.807 32.524 31.823 -0.176 0.000 0.983 17 V HN 0.724 nan 8.190 nan 0.000 0.459 18 F N 1.635 121.597 119.950 0.021 0.000 2.653 18 F HA 0.254 4.781 4.527 -0.000 0.000 0.288 18 F C 0.955 176.639 175.800 -0.192 0.000 1.121 18 F CA -0.047 57.926 58.000 -0.044 0.000 1.384 18 F CB 0.390 39.412 39.000 0.036 0.000 1.115 18 F HN 0.377 nan 8.300 nan 0.000 0.599 19 C N 1.990 121.264 119.300 -0.043 0.000 2.396 19 C HA 0.441 4.901 4.460 -0.000 0.000 0.321 19 C C 0.307 175.121 174.990 -0.294 0.000 1.233 19 C CA -0.841 57.910 59.018 -0.443 0.000 1.440 19 C CB 0.556 27.980 27.740 -0.527 0.000 2.110 19 C HN 0.538 nan 8.230 nan 0.000 0.473 20 N N 1.202 119.708 118.700 -0.324 0.000 2.381 20 N HA 0.063 4.803 4.740 -0.000 0.000 0.257 20 N C -0.439 175.040 175.510 -0.052 0.000 1.409 20 N CA -0.259 52.701 53.050 -0.151 0.000 0.836 20 N CB 0.061 38.456 38.487 -0.154 0.000 1.384 20 N HN 0.797 nan 8.380 nan 0.000 0.490 21 Q N -0.065 119.766 119.800 0.052 0.000 2.990 21 Q HA 0.587 4.927 4.340 -0.000 0.000 0.255 21 Q C -0.518 175.800 176.000 0.531 0.000 1.040 21 Q CA -0.973 55.004 55.803 0.290 0.000 0.897 21 Q CB 1.795 30.739 28.738 0.344 0.000 1.429 21 Q HN 0.121 nan 8.270 nan 0.000 0.497 22 I N 1.159 122.015 120.570 0.476 0.000 2.365 22 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 22 I C -0.863 175.490 176.117 0.394 0.000 1.004 22 I CA -0.238 61.294 61.300 0.386 0.000 1.311 22 I CB 0.557 38.702 38.000 0.241 0.000 1.401 22 I HN 0.362 nan 8.210 nan 0.000 0.491 23 F N 8.249 128.200 119.950 0.000 0.000 2.361 23 F HA 0.611 5.138 4.527 -0.000 0.000 0.364 23 F C -0.516 175.163 175.800 -0.202 0.000 1.120 23 F CA -0.370 57.402 58.000 -0.382 0.000 1.102 23 F CB 0.366 38.965 39.000 -0.669 0.000 1.183 23 F HN 0.193 nan 8.300 nan 0.000 0.476 24 I N 5.659 125.955 120.570 -0.456 0.000 2.569 24 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 24 I C -0.391 175.464 176.117 -0.436 0.000 1.088 24 I CA -1.011 60.058 61.300 -0.385 0.000 1.047 24 I CB 1.813 39.607 38.000 -0.344 0.000 1.237 24 I HN 0.495 nan 8.210 nan 0.000 0.421 25 N N 4.683 123.137 118.700 -0.409 0.000 2.727 25 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 25 N C -0.029 175.220 175.510 -0.437 0.000 1.048 25 N CA 0.874 53.735 53.050 -0.316 0.000 0.714 25 N CB -0.898 37.490 38.487 -0.165 0.000 0.959 25 N HN 0.792 nan 8.380 nan 0.000 0.544 26 N N -1.363 116.836 118.700 -0.834 0.000 2.708 26 N HA -0.214 4.526 4.740 -0.000 0.000 0.251 26 N C -0.699 174.372 175.510 -0.732 0.000 1.123 26 N CA 1.724 54.274 53.050 -0.833 0.000 0.739 26 N CB -0.824 37.524 38.487 -0.231 0.000 1.113 26 N HN 0.730 nan 8.380 nan 0.000 0.561 27 E N -1.508 118.178 120.200 -0.856 0.000 2.369 27 E HA 0.464 4.814 4.350 -0.000 0.000 0.270 27 E C -0.671 175.544 176.600 -0.642 0.000 0.909 27 E CA -0.752 55.321 56.400 -0.545 0.000 0.775 27 E CB 1.088 30.598 29.700 -0.317 0.000 1.270 27 E HN 0.124 nan 8.360 nan 0.000 0.445 28 W N 0.887 122.066 121.300 -0.201 0.000 2.390 28 W HA 0.350 5.010 4.660 -0.000 0.000 0.312 28 W C -0.159 176.178 176.519 -0.304 0.000 1.123 28 W CA -0.178 57.123 57.345 -0.073 0.000 1.202 28 W CB 0.783 30.266 29.460 0.038 0.000 1.251 28 W HN 0.472 nan 8.180 nan 0.000 0.511 29 H N 0.808 120.037 119.070 0.266 0.000 2.768 29 H HA 0.288 4.844 4.556 -0.000 0.000 0.371 29 H C -0.440 174.988 175.328 0.167 0.000 1.151 29 H CA -0.918 55.224 56.048 0.158 0.000 1.165 29 H CB 1.408 31.215 29.762 0.075 0.000 1.722 29 H HN 0.222 nan 8.280 nan 0.000 0.543 30 D N 0.630 121.171 120.400 0.235 0.000 2.354 30 D HA 0.371 5.011 4.640 -0.000 0.000 0.247 30 D C 0.308 176.708 176.300 0.165 0.000 1.138 30 D CA -0.406 53.695 54.000 0.168 0.000 0.958 30 D CB 1.059 41.928 40.800 0.117 0.000 1.144 30 D HN 0.669 nan 8.370 nan 0.000 0.458 31 A N 0.759 123.662 122.820 0.138 0.000 2.445 31 A HA 0.115 4.435 4.320 -0.000 0.000 0.242 31 A C 1.558 179.201 177.584 0.099 0.000 1.075 31 A CA -0.460 51.650 52.037 0.121 0.000 0.777 31 A CB 0.312 19.387 19.000 0.125 0.000 1.013 31 A HN 0.418 nan 8.150 nan 0.000 0.493 32 V N 2.354 122.317 119.914 0.081 0.000 2.380 32 V HA -0.271 3.849 4.120 -0.000 0.000 0.251 32 V C 2.747 178.881 176.094 0.066 0.000 1.063 32 V CA 2.808 65.148 62.300 0.066 0.000 1.055 32 V CB -0.968 30.885 31.823 0.051 0.000 0.657 32 V HN 1.135 nan 8.190 nan 0.000 0.455 33 S N -1.103 114.640 115.700 0.072 0.000 2.481 33 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 33 S C 1.336 175.979 174.600 0.072 0.000 0.996 33 S CA 0.469 58.710 58.200 0.069 0.000 0.942 33 S CB -0.102 63.145 63.200 0.078 0.000 0.768 33 S HN 0.520 nan 8.310 nan 0.000 0.520 34 R N -0.085 120.462 120.500 0.079 0.000 3.840 34 R HA -0.091 4.249 4.340 -0.000 0.000 0.464 34 R C -0.642 175.706 176.300 0.080 0.000 0.986 34 R CA 1.169 57.314 56.100 0.075 0.000 1.305 34 R CB -2.320 28.016 30.300 0.061 0.000 1.950 34 R HN 0.592 nan 8.270 nan 0.000 0.526 35 K N 1.375 121.834 120.400 0.098 0.000 2.202 35 K HA 0.306 4.626 4.320 -0.000 0.000 0.264 35 K C 0.890 177.572 176.600 0.137 0.000 1.010 35 K CA 0.664 57.022 56.287 0.117 0.000 0.940 35 K CB 0.802 33.385 32.500 0.139 0.000 0.983 35 K HN 0.275 nan 8.250 nan 0.000 0.475 36 T N -1.267 113.372 114.554 0.141 0.000 2.883 36 T HA 0.688 5.038 4.350 -0.000 0.000 0.296 36 T C -0.815 174.011 174.700 0.209 0.000 1.117 36 T CA -1.027 61.141 62.100 0.114 0.000 1.006 36 T CB 0.817 69.686 68.868 0.001 0.000 1.191 36 T HN 0.504 nan 8.240 nan 0.000 0.508 37 F N -0.899 119.070 119.950 0.031 0.000 2.588 37 F HA 0.862 5.389 4.527 -0.000 0.000 0.310 37 F C -3.119 172.697 175.800 0.026 0.000 1.082 37 F CA -2.857 55.179 58.000 0.060 0.000 0.929 37 F CB 1.542 40.569 39.000 0.044 0.000 1.254 37 F HN 0.425 nan 8.300 nan 0.000 0.455 38 P HA 0.178 nan 4.420 nan 0.000 0.284 38 P C -0.922 176.417 177.300 0.065 0.000 1.253 38 P CA -0.125 62.980 63.100 0.009 0.000 0.800 38 P CB 1.940 33.679 31.700 0.065 0.000 0.961 39 T N 1.882 116.413 114.554 -0.038 0.000 2.779 39 T HA 0.404 4.754 4.350 -0.000 0.000 0.280 39 T C -0.542 174.164 174.700 0.010 0.000 0.987 39 T CA -0.510 61.602 62.100 0.020 0.000 0.966 39 T CB 0.344 69.193 68.868 -0.031 0.000 0.933 39 T HN 0.073 nan 8.240 nan 0.000 0.442 40 V N 5.542 125.475 119.914 0.032 0.000 2.612 40 V HA 0.466 4.586 4.120 -0.000 0.000 0.301 40 V C 0.472 176.569 176.094 0.005 0.000 1.046 40 V CA -1.149 61.165 62.300 0.023 0.000 0.946 40 V CB 1.729 33.588 31.823 0.060 0.000 1.003 40 V HN 0.869 nan 8.190 nan 0.000 0.459 41 N N 5.753 124.446 118.700 -0.013 0.000 2.415 41 N HA 0.227 4.967 4.740 -0.000 0.000 0.246 41 N C -1.365 174.107 175.510 -0.063 0.000 1.078 41 N CA -2.079 50.953 53.050 -0.029 0.000 0.942 41 N CB 1.615 40.089 38.487 -0.021 0.000 1.140 41 N HN 0.330 nan 8.380 nan 0.000 0.501 42 P HA -0.056 nan 4.420 nan 0.000 0.225 42 P C 0.624 177.707 177.300 -0.362 0.000 1.148 42 P CA 0.781 63.821 63.100 -0.101 0.000 0.779 42 P CB 0.430 32.108 31.700 -0.036 0.000 0.780 43 S N -0.636 114.928 115.700 -0.226 0.000 2.461 43 S HA -0.033 4.437 4.470 -0.000 0.000 0.228 43 S C 1.807 176.389 174.600 -0.031 0.000 1.005 43 S CA 1.736 59.870 58.200 -0.110 0.000 0.942 43 S CB -0.543 62.701 63.200 0.073 0.000 0.776 43 S HN 0.459 nan 8.310 nan 0.000 0.514 44 T N -3.476 111.003 114.554 -0.125 0.000 2.954 44 T HA 0.463 4.813 4.350 -0.000 0.000 0.252 44 T C 1.470 176.048 174.700 -0.202 0.000 0.983 44 T CA 0.802 62.834 62.100 -0.114 0.000 0.941 44 T CB 0.387 69.222 68.868 -0.056 0.000 1.141 44 T HN 0.474 nan 8.240 nan 0.000 0.500 45 G N 1.478 110.119 108.800 -0.265 0.000 2.176 45 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.253 45 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.253 45 G C -0.239 174.612 174.900 -0.082 0.000 0.979 45 G CA 0.183 45.142 45.100 -0.236 0.000 0.641 45 G HN 0.681 nan 8.290 nan 0.000 0.530 46 E N -0.308 119.851 120.200 -0.068 0.000 2.283 46 E HA 0.510 4.860 4.350 -0.000 0.000 0.271 46 E C 0.335 176.922 176.600 -0.023 0.000 1.031 46 E CA -0.859 55.519 56.400 -0.038 0.000 0.868 46 E CB 2.077 31.753 29.700 -0.040 0.000 1.094 46 E HN 0.078 nan 8.360 nan 0.000 0.401 47 V N 3.541 123.445 119.914 -0.016 0.000 2.572 47 V HA -0.022 4.098 4.120 -0.000 0.000 0.291 47 V C 1.283 177.358 176.094 -0.033 0.000 1.039 47 V CA 0.495 62.785 62.300 -0.016 0.000 1.055 47 V CB 0.491 32.306 31.823 -0.013 0.000 0.969 47 V HN 0.680 nan 8.190 nan 0.000 0.482 48 I N 3.574 124.120 120.570 -0.040 0.000 2.296 48 I HA 0.046 4.216 4.170 -0.000 0.000 0.242 48 I C 0.967 177.041 176.117 -0.072 0.000 1.087 48 I CA 1.307 62.575 61.300 -0.054 0.000 1.393 48 I CB 0.261 38.230 38.000 -0.052 0.000 1.093 48 I HN 0.890 nan 8.210 nan 0.000 0.421 49 C N -2.207 117.042 119.300 -0.086 0.000 3.211 49 C HA 0.416 4.876 4.460 -0.000 0.000 0.350 49 C C -1.229 173.676 174.990 -0.141 0.000 1.413 49 C CA -1.184 57.771 59.018 -0.106 0.000 1.203 49 C CB 1.272 28.940 27.740 -0.119 0.000 1.506 49 C HN 0.139 nan 8.230 nan 0.000 0.448 50 Q N 0.468 120.178 119.800 -0.150 0.000 2.227 50 Q HA 0.783 5.123 4.340 -0.000 0.000 0.245 50 Q C -0.666 175.157 176.000 -0.295 0.000 0.926 50 Q CA -0.233 55.448 55.803 -0.203 0.000 0.895 50 Q CB 1.892 30.558 28.738 -0.119 0.000 1.230 50 Q HN 0.768 nan 8.270 nan 0.000 0.450 51 V N 0.460 120.071 119.914 -0.505 0.000 2.760 51 V HA 0.495 4.615 4.120 -0.000 0.000 0.309 51 V C -0.496 175.372 176.094 -0.376 0.000 1.077 51 V CA -1.300 60.685 62.300 -0.525 0.000 0.910 51 V CB 1.901 33.204 31.823 -0.866 0.000 1.008 51 V HN 0.897 nan 8.190 nan 0.000 0.424 52 A N 2.503 125.272 122.820 -0.085 0.000 2.567 52 A HA 0.182 4.502 4.320 -0.000 0.000 0.240 52 A C 0.409 178.128 177.584 0.224 0.000 1.053 52 A CA 0.319 52.403 52.037 0.078 0.000 0.755 52 A CB -0.099 18.982 19.000 0.135 0.000 0.978 52 A HN 0.911 nan 8.150 nan 0.000 0.507 53 E N 2.942 123.308 120.200 0.277 0.000 1.924 53 E HA 0.344 4.694 4.350 -0.000 0.000 0.261 53 E C 0.662 177.368 176.600 0.178 0.000 1.088 53 E CA -0.274 56.317 56.400 0.319 0.000 0.909 53 E CB 0.099 29.999 29.700 0.333 0.000 1.112 53 E HN 0.806 nan 8.360 nan 0.000 0.425 54 G N 3.441 112.330 108.800 0.148 0.000 2.441 54 G HA2 0.031 3.991 3.960 -0.000 0.000 0.243 54 G HA3 0.031 3.991 3.960 -0.000 0.000 0.243 54 G C -0.305 174.649 174.900 0.090 0.000 1.281 54 G CA -0.227 44.940 45.100 0.111 0.000 0.854 54 G HN 0.551 nan 8.290 nan 0.000 0.560 55 D N 0.070 120.522 120.400 0.088 0.000 2.758 55 D HA 0.203 4.843 4.640 -0.000 0.000 0.279 55 D C 1.361 177.703 176.300 0.071 0.000 1.111 55 D CA -0.827 53.223 54.000 0.083 0.000 1.109 55 D CB 1.640 42.492 40.800 0.086 0.000 1.428 55 D HN 0.281 nan 8.370 nan 0.000 0.586 56 K N 0.297 120.736 120.400 0.065 0.000 2.059 56 K HA -0.211 4.109 4.320 -0.000 0.000 0.212 56 K C 1.495 178.133 176.600 0.063 0.000 1.050 56 K CA 1.784 58.108 56.287 0.062 0.000 0.927 56 K CB 0.054 32.580 32.500 0.044 0.000 0.714 56 K HN 0.339 nan 8.250 nan 0.000 0.447 57 E N 0.132 120.363 120.200 0.051 0.000 2.110 57 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 57 E C 1.700 178.321 176.600 0.036 0.000 0.988 57 E CA 1.291 57.716 56.400 0.043 0.000 0.804 57 E CB -0.016 29.706 29.700 0.036 0.000 0.745 57 E HN 0.463 nan 8.360 nan 0.000 0.458 58 D N 0.399 120.823 120.400 0.040 0.000 2.144 58 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 58 D C 2.120 178.429 176.300 0.015 0.000 0.978 58 D CA 0.727 54.740 54.000 0.023 0.000 0.833 58 D CB -0.005 40.824 40.800 0.049 0.000 0.961 58 D HN 0.045 nan 8.370 nan 0.000 0.470 59 V N 1.973 121.913 119.914 0.043 0.000 2.407 59 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 59 V C 1.892 178.009 176.094 0.039 0.000 1.055 59 V CA 1.627 63.952 62.300 0.043 0.000 1.049 59 V CB -0.365 31.508 31.823 0.083 0.000 0.662 59 V HN 0.022 nan 8.190 nan 0.000 0.455 60 D N 0.114 120.568 120.400 0.091 0.000 2.117 60 D HA -0.148 4.491 4.640 -0.000 0.000 0.197 60 D C 2.247 178.567 176.300 0.034 0.000 0.987 60 D CA 1.198 55.279 54.000 0.135 0.000 0.829 60 D CB -0.182 40.698 40.800 0.132 0.000 0.961 60 D HN 0.430 nan 8.370 nan 0.000 0.460 61 K N 0.655 121.048 120.400 -0.011 0.000 2.057 61 K HA -0.015 4.305 4.320 -0.000 0.000 0.206 61 K C 2.152 178.696 176.600 -0.093 0.000 1.050 61 K CA 1.112 57.361 56.287 -0.063 0.000 0.935 61 K CB -0.066 32.367 32.500 -0.112 0.000 0.715 61 K HN 0.020 nan 8.250 nan 0.000 0.439 62 A N 1.069 123.834 122.820 -0.091 0.000 1.877 62 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 62 A C 2.399 179.918 177.584 -0.108 0.000 1.186 62 A CA 1.497 53.474 52.037 -0.101 0.000 0.620 62 A CB -0.757 18.201 19.000 -0.069 0.000 0.822 62 A HN 0.067 nan 8.150 nan 0.000 0.443 63 V N 0.273 120.102 119.914 -0.142 0.000 2.343 63 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 63 V C 2.447 178.468 176.094 -0.122 0.000 1.051 63 V CA 2.392 64.565 62.300 -0.213 0.000 1.036 63 V CB -0.716 30.789 31.823 -0.529 0.000 0.654 63 V HN 0.548 nan 8.190 nan 0.000 0.451 64 K N 0.205 120.562 120.400 -0.071 0.000 2.097 64 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 64 K C 2.286 178.870 176.600 -0.027 0.000 1.049 64 K CA 1.447 57.718 56.287 -0.025 0.000 0.933 64 K CB -0.388 32.109 32.500 -0.006 0.000 0.717 64 K HN 0.491 nan 8.250 nan 0.000 0.442 65 A N 1.495 124.282 122.820 -0.054 0.000 1.898 65 A HA -0.072 4.247 4.320 -0.000 0.000 0.216 65 A C 2.367 179.930 177.584 -0.034 0.000 1.181 65 A CA 1.699 53.702 52.037 -0.057 0.000 0.620 65 A CB -0.574 18.365 19.000 -0.102 0.000 0.819 65 A HN 0.319 nan 8.150 nan 0.000 0.442 66 A N -0.150 122.644 122.820 -0.044 0.000 1.898 66 A HA -0.121 4.198 4.320 -0.000 0.000 0.216 66 A C 2.178 179.796 177.584 0.057 0.000 1.181 66 A CA 2.055 54.081 52.037 -0.018 0.000 0.620 66 A CB -0.443 18.522 19.000 -0.057 0.000 0.819 66 A HN 0.443 nan 8.150 nan 0.000 0.442 67 R N 0.363 120.886 120.500 0.040 0.000 2.091 67 R HA -0.057 4.283 4.340 -0.000 0.000 0.238 67 R C 2.123 178.512 176.300 0.148 0.000 1.136 67 R CA 2.061 58.224 56.100 0.104 0.000 0.959 67 R CB -0.976 29.360 30.300 0.059 0.000 0.856 67 R HN 0.392 nan 8.270 nan 0.000 0.437 68 A N 0.189 123.061 122.820 0.088 0.000 1.902 68 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 68 A C 2.344 179.992 177.584 0.106 0.000 1.181 68 A CA 1.799 53.884 52.037 0.079 0.000 0.623 68 A CB -1.063 17.961 19.000 0.040 0.000 0.818 68 A HN 0.484 nan 8.150 nan 0.000 0.443 69 A N -2.179 120.710 122.820 0.115 0.000 2.121 69 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 69 A C 1.744 179.492 177.584 0.274 0.000 1.154 69 A CA 1.284 53.410 52.037 0.148 0.000 0.679 69 A CB -0.546 18.499 19.000 0.075 0.000 0.795 69 A HN 0.601 nan 8.150 nan 0.000 0.458 70 F N 0.239 120.267 119.950 0.131 0.000 2.765 70 F HA 0.200 4.726 4.527 -0.000 0.000 0.302 70 F C 0.684 176.557 175.800 0.121 0.000 1.111 70 F CA -0.238 57.864 58.000 0.171 0.000 1.359 70 F CB 0.153 39.237 39.000 0.140 0.000 1.097 70 F HN 0.092 nan 8.300 nan 0.000 0.577 71 Q N 1.611 121.448 119.800 0.061 0.000 2.361 71 Q HA 0.042 4.381 4.340 -0.000 0.000 0.276 71 Q C -0.210 175.729 176.000 -0.102 0.000 1.022 71 Q CA -0.158 55.640 55.803 -0.008 0.000 0.898 71 Q CB 0.840 29.601 28.738 0.037 0.000 1.246 71 Q HN 0.242 nan 8.270 nan 0.000 0.410 72 L N 1.564 122.719 121.223 -0.113 0.000 2.578 72 L HA 0.127 4.467 4.340 -0.000 0.000 0.279 72 L C 1.264 178.098 176.870 -0.061 0.000 1.227 72 L CA 2.186 56.958 54.840 -0.114 0.000 0.900 72 L CB 0.090 42.106 42.059 -0.072 0.000 1.144 72 L HN 0.925 nan 8.230 nan 0.000 0.496 73 G N 1.897 110.661 108.800 -0.060 0.000 2.195 73 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.246 73 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.246 73 G C 0.354 175.247 174.900 -0.011 0.000 0.984 73 G CA 0.360 45.442 45.100 -0.030 0.000 0.633 73 G HN 1.105 nan 8.290 nan 0.000 0.525 74 S N 0.479 116.176 115.700 -0.005 0.000 2.608 74 S HA 0.578 5.048 4.470 -0.000 0.000 0.261 74 S C -0.647 173.991 174.600 0.063 0.000 1.314 74 S CA -0.235 57.989 58.200 0.041 0.000 0.992 74 S CB 1.881 65.126 63.200 0.075 0.000 0.935 74 S HN 0.001 nan 8.310 nan 0.000 0.564 75 P HA -0.074 nan 4.420 nan 0.000 0.215 75 P C 1.256 178.675 177.300 0.199 0.000 1.153 75 P CA 1.061 64.233 63.100 0.120 0.000 0.853 75 P CB -0.095 31.683 31.700 0.131 0.000 0.788 76 W N 0.189 121.511 121.300 0.037 0.000 2.402 76 W HA -0.121 4.539 4.660 -0.000 0.000 0.286 76 W C 1.635 178.174 176.519 0.034 0.000 1.221 76 W CA 0.658 58.044 57.345 0.068 0.000 1.257 76 W CB -0.057 29.472 29.460 0.114 0.000 1.120 76 W HN -0.154 nan 8.180 nan 0.000 0.551 77 R N 0.366 120.857 120.500 -0.015 0.000 2.093 77 R HA -0.029 4.311 4.340 -0.000 0.000 0.224 77 R C 2.077 178.279 176.300 -0.164 0.000 1.101 77 R CA 0.960 56.946 56.100 -0.191 0.000 0.979 77 R CB -0.671 29.501 30.300 -0.213 0.000 0.877 77 R HN 0.290 nan 8.270 nan 0.000 0.441 78 R N -0.204 120.241 120.500 -0.092 0.000 2.240 78 R HA 0.159 4.499 4.340 -0.000 0.000 0.203 78 R C 1.075 177.324 176.300 -0.086 0.000 1.011 78 R CA -0.161 55.894 56.100 -0.076 0.000 1.007 78 R CB -0.011 30.262 30.300 -0.043 0.000 0.911 78 R HN 0.105 nan 8.270 nan 0.000 0.468 79 M N 2.287 121.828 119.600 -0.100 0.000 2.260 79 M HA -0.057 4.423 4.480 -0.000 0.000 0.348 79 M C -0.699 175.538 176.300 -0.105 0.000 1.342 79 M CA 0.381 55.626 55.300 -0.092 0.000 1.040 79 M CB 0.493 33.055 32.600 -0.064 0.000 1.810 79 M HN -0.049 nan 8.290 nan 0.000 0.453 80 D N 4.107 124.474 120.400 -0.055 0.000 2.488 80 D HA 0.043 4.683 4.640 -0.000 0.000 0.238 80 D C 0.858 177.147 176.300 -0.019 0.000 1.138 80 D CA 0.509 54.493 54.000 -0.026 0.000 0.873 80 D CB 1.016 41.818 40.800 0.004 0.000 1.183 80 D HN 0.769 nan 8.370 nan 0.000 0.458 81 A N 2.636 125.439 122.820 -0.029 0.000 1.917 81 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 81 A C 2.153 179.744 177.584 0.011 0.000 1.182 81 A CA 2.294 54.317 52.037 -0.024 0.000 0.633 81 A CB -0.645 18.359 19.000 0.007 0.000 0.819 81 A HN 0.616 nan 8.150 nan 0.000 0.448 82 S N -1.116 114.602 115.700 0.029 0.000 2.400 82 S HA -0.274 4.196 4.470 -0.000 0.000 0.232 82 S C 1.847 176.473 174.600 0.043 0.000 1.025 82 S CA 1.706 59.927 58.200 0.034 0.000 0.993 82 S CB -0.734 62.487 63.200 0.037 0.000 0.808 82 S HN 0.740 nan 8.310 nan 0.000 0.478 83 H N 1.620 120.672 119.070 -0.031 0.000 2.428 83 H HA 0.216 4.772 4.556 -0.000 0.000 0.296 83 H C 2.315 177.627 175.328 -0.027 0.000 1.062 83 H CA 1.421 57.450 56.048 -0.032 0.000 1.350 83 H CB -0.053 29.686 29.762 -0.039 0.000 1.403 83 H HN 0.357 nan 8.280 nan 0.000 0.533 84 R N -0.752 119.744 120.500 -0.006 0.000 2.120 84 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 84 R C 2.456 178.783 176.300 0.045 0.000 1.123 84 R CA 0.974 57.088 56.100 0.025 0.000 0.975 84 R CB -0.351 29.930 30.300 -0.032 0.000 0.866 84 R HN 0.402 nan 8.270 nan 0.000 0.446 85 G N 1.147 109.955 108.800 0.013 0.000 2.402 85 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.216 85 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.216 85 G C 1.442 176.324 174.900 -0.031 0.000 1.162 85 G CA 0.119 45.233 45.100 0.023 0.000 0.777 85 G HN 0.118 nan 8.290 nan 0.000 0.539 86 R N 0.229 120.651 120.500 -0.130 0.000 2.096 86 R HA 0.065 4.405 4.340 -0.000 0.000 0.235 86 R C 2.607 178.780 176.300 -0.212 0.000 1.127 86 R CA 0.596 56.583 56.100 -0.188 0.000 0.968 86 R CB -0.991 29.115 30.300 -0.323 0.000 0.861 86 R HN 0.399 nan 8.270 nan 0.000 0.440 87 L N 0.396 121.432 121.223 -0.312 0.000 2.093 87 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 87 L C 2.495 179.339 176.870 -0.043 0.000 1.085 87 L CA 0.928 55.536 54.840 -0.386 0.000 0.755 87 L CB -0.455 41.078 42.059 -0.876 0.000 0.904 87 L HN 0.105 nan 8.230 nan 0.000 0.435 88 L N -0.321 120.992 121.223 0.150 0.000 2.083 88 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 88 L C 2.373 179.344 176.870 0.169 0.000 1.083 88 L CA 0.977 55.989 54.840 0.286 0.000 0.752 88 L CB -0.513 41.705 42.059 0.265 0.000 0.899 88 L HN 0.351 nan 8.230 nan 0.000 0.433 89 N N -0.102 118.649 118.700 0.086 0.000 2.188 89 N HA -0.190 4.549 4.740 -0.000 0.000 0.184 89 N C 1.944 177.488 175.510 0.057 0.000 1.018 89 N CA 0.922 54.008 53.050 0.060 0.000 0.858 89 N CB -0.170 38.330 38.487 0.023 0.000 0.989 89 N HN 0.163 nan 8.380 nan 0.000 0.426 90 R N 1.215 121.736 120.500 0.036 0.000 2.075 90 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 90 R C 2.020 178.374 176.300 0.090 0.000 1.126 90 R CA 0.778 56.901 56.100 0.038 0.000 0.963 90 R CB -0.962 29.332 30.300 -0.010 0.000 0.858 90 R HN 0.166 nan 8.270 nan 0.000 0.435 91 L N 0.332 121.649 121.223 0.157 0.000 2.046 91 L HA 0.030 4.369 4.340 -0.000 0.000 0.208 91 L C 2.075 179.021 176.870 0.126 0.000 1.077 91 L CA 2.236 57.185 54.840 0.182 0.000 0.747 91 L CB -1.026 41.197 42.059 0.275 0.000 0.896 91 L HN 0.267 nan 8.230 nan 0.000 0.432 92 A N -0.780 122.112 122.820 0.121 0.000 1.902 92 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 92 A C 1.993 179.626 177.584 0.083 0.000 1.181 92 A CA 1.819 53.916 52.037 0.100 0.000 0.623 92 A CB -0.852 18.207 19.000 0.099 0.000 0.818 92 A HN 0.531 nan 8.150 nan 0.000 0.443 93 D N 0.167 120.612 120.400 0.075 0.000 2.123 93 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 93 D C 1.941 178.284 176.300 0.073 0.000 0.992 93 D CA 1.112 55.151 54.000 0.065 0.000 0.833 93 D CB -0.365 40.467 40.800 0.052 0.000 0.954 93 D HN 0.468 nan 8.370 nan 0.000 0.455 94 L N 0.329 121.599 121.223 0.080 0.000 2.056 94 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 94 L C 2.549 179.488 176.870 0.116 0.000 1.078 94 L CA 0.624 55.516 54.840 0.087 0.000 0.749 94 L CB -0.270 41.834 42.059 0.076 0.000 0.901 94 L HN 0.013 nan 8.230 nan 0.000 0.433 95 I N -0.122 120.517 120.570 0.115 0.000 2.226 95 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 95 I C 2.601 178.787 176.117 0.114 0.000 1.100 95 I CA 1.377 62.757 61.300 0.133 0.000 1.374 95 I CB -0.193 37.872 38.000 0.108 0.000 1.057 95 I HN 0.338 nan 8.210 nan 0.000 0.413 96 E N 1.154 121.404 120.200 0.084 0.000 2.106 96 E HA -0.268 4.082 4.350 -0.000 0.000 0.192 96 E C 2.388 179.042 176.600 0.090 0.000 0.984 96 E CA 0.932 57.370 56.400 0.064 0.000 0.806 96 E CB -0.020 29.711 29.700 0.051 0.000 0.750 96 E HN 0.255 nan 8.360 nan 0.000 0.458 97 R N 0.315 120.875 120.500 0.099 0.000 2.105 97 R HA -0.137 4.202 4.340 -0.000 0.000 0.239 97 R C 0.338 176.720 176.300 0.137 0.000 1.135 97 R CA 1.792 57.955 56.100 0.105 0.000 0.967 97 R CB 0.042 30.397 30.300 0.090 0.000 0.861 97 R HN 0.130 nan 8.270 nan 0.000 0.442 98 D N -0.266 120.238 120.400 0.173 0.000 2.491 98 D HA 0.030 4.670 4.640 -0.000 0.000 0.228 98 D C 1.030 177.476 176.300 0.243 0.000 1.183 98 D CA -0.063 54.075 54.000 0.230 0.000 0.827 98 D CB 0.255 41.250 40.800 0.325 0.000 0.989 98 D HN 0.236 nan 8.370 nan 0.000 0.494 99 R N 0.438 121.048 120.500 0.183 0.000 2.083 99 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 99 R C 1.442 177.894 176.300 0.254 0.000 1.137 99 R CA 1.665 57.842 56.100 0.128 0.000 0.951 99 R CB -0.082 30.220 30.300 0.002 0.000 0.851 99 R HN -0.009 nan 8.270 nan 0.000 0.434 100 T N 0.067 114.857 114.554 0.393 0.000 2.684 100 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 100 T C 1.397 176.329 174.700 0.386 0.000 1.036 100 T CA 1.688 64.079 62.100 0.484 0.000 1.148 100 T CB -0.526 68.560 68.868 0.363 0.000 0.863 100 T HN 0.425 nan 8.240 nan 0.000 0.436 101 Y N 1.610 122.014 120.300 0.174 0.000 2.145 101 Y HA -0.020 4.530 4.550 -0.000 0.000 0.286 101 Y C 2.024 177.966 175.900 0.070 0.000 1.145 101 Y CA 1.039 59.190 58.100 0.084 0.000 1.148 101 Y CB -0.570 37.883 38.460 -0.011 0.000 0.981 101 Y HN 0.104 nan 8.280 nan 0.000 0.507 102 L N -0.155 121.044 121.223 -0.041 0.000 2.083 102 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 102 L C 2.770 179.610 176.870 -0.049 0.000 1.083 102 L CA 1.149 55.913 54.840 -0.127 0.000 0.752 102 L CB -0.868 41.234 42.059 0.071 0.000 0.899 102 L HN 0.379 nan 8.230 nan 0.000 0.433 103 A N -0.187 122.690 122.820 0.095 0.000 1.933 103 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 103 A C 2.496 180.243 177.584 0.271 0.000 1.175 103 A CA 1.660 53.786 52.037 0.147 0.000 0.628 103 A CB -0.609 18.504 19.000 0.187 0.000 0.814 103 A HN 0.407 nan 8.150 nan 0.000 0.444 104 A N -0.623 122.408 122.820 0.351 0.000 1.873 104 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 104 A C 2.097 179.768 177.584 0.146 0.000 1.186 104 A CA 1.612 53.868 52.037 0.366 0.000 0.616 104 A CB -0.601 18.510 19.000 0.185 0.000 0.823 104 A HN 0.587 nan 8.150 nan 0.000 0.442 105 L N -0.080 121.059 121.223 -0.141 0.000 2.083 105 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 105 L C 2.236 179.055 176.870 -0.086 0.000 1.083 105 L CA 2.599 57.315 54.840 -0.206 0.000 0.752 105 L CB -0.583 41.187 42.059 -0.482 0.000 0.899 105 L HN 0.519 nan 8.230 nan 0.000 0.433 106 E N -1.100 119.062 120.200 -0.063 0.000 2.051 106 E HA -0.193 4.156 4.350 -0.000 0.000 0.192 106 E C 2.048 178.609 176.600 -0.066 0.000 0.991 106 E CA 2.058 58.430 56.400 -0.047 0.000 0.799 106 E CB -0.352 29.326 29.700 -0.036 0.000 0.748 106 E HN 0.466 nan 8.360 nan 0.000 0.449 107 T N 0.785 115.294 114.554 -0.074 0.000 2.746 107 T HA -0.152 4.197 4.350 -0.000 0.000 0.267 107 T C 1.751 176.338 174.700 -0.189 0.000 1.039 107 T CA 1.214 63.191 62.100 -0.204 0.000 1.142 107 T CB -0.383 68.234 68.868 -0.418 0.000 0.866 107 T HN 0.118 nan 8.240 nan 0.000 0.444 108 L N 1.259 122.461 121.223 -0.036 0.000 2.012 108 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 108 L C 2.089 178.953 176.870 -0.011 0.000 1.073 108 L CA 1.916 56.793 54.840 0.060 0.000 0.748 108 L CB -0.412 41.725 42.059 0.131 0.000 0.891 108 L HN 0.094 nan 8.230 nan 0.000 0.431 109 D N -1.662 118.722 120.400 -0.028 0.000 2.249 109 D HA -0.143 4.497 4.640 -0.000 0.000 0.205 109 D C 1.874 178.150 176.300 -0.039 0.000 0.962 109 D CA 0.725 54.709 54.000 -0.027 0.000 0.860 109 D CB 0.026 40.816 40.800 -0.016 0.000 0.955 109 D HN 0.436 nan 8.370 nan 0.000 0.505 110 N N -0.811 117.851 118.700 -0.063 0.000 2.482 110 N HA -0.003 4.737 4.740 -0.000 0.000 0.179 110 N C 1.371 176.806 175.510 -0.125 0.000 1.039 110 N CA 1.536 54.540 53.050 -0.075 0.000 0.884 110 N CB 0.907 39.347 38.487 -0.077 0.000 1.113 110 N HN 0.236 nan 8.380 nan 0.000 0.440 111 G N 1.489 110.196 108.800 -0.156 0.000 2.238 111 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 111 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 111 G C -0.068 174.712 174.900 -0.199 0.000 0.996 111 G CA 0.361 45.348 45.100 -0.188 0.000 0.632 111 G HN 0.672 nan 8.290 nan 0.000 0.503 112 K N 1.121 121.395 120.400 -0.209 0.000 2.319 112 K HA 0.464 4.784 4.320 -0.000 0.000 0.265 112 K C -2.693 173.797 176.600 -0.182 0.000 1.000 112 K CA -1.228 54.930 56.287 -0.216 0.000 0.943 112 K CB 0.484 32.823 32.500 -0.268 0.000 0.950 112 K HN 0.081 nan 8.250 nan 0.000 0.485 113 P HA -0.111 nan 4.420 nan 0.000 0.264 113 P C -0.302 176.966 177.300 -0.053 0.000 1.193 113 P CA -0.030 63.025 63.100 -0.076 0.000 0.763 113 P CB 0.132 31.823 31.700 -0.015 0.000 0.810 114 Y N 4.746 124.940 120.300 -0.177 0.000 2.193 114 Y HA -0.263 4.286 4.550 -0.000 0.000 0.285 114 Y C 1.797 177.729 175.900 0.053 0.000 1.166 114 Y CA 1.781 59.831 58.100 -0.083 0.000 1.181 114 Y CB -0.847 37.602 38.460 -0.019 0.000 0.976 114 Y HN 0.085 nan 8.280 nan 0.000 0.520 115 V N 0.378 120.262 119.914 -0.051 0.000 2.392 115 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 115 V C 2.330 178.404 176.094 -0.034 0.000 1.059 115 V CA 1.783 64.035 62.300 -0.081 0.000 1.051 115 V CB -0.621 31.231 31.823 0.049 0.000 0.658 115 V HN 0.442 nan 8.190 nan 0.000 0.455 116 I N -0.365 120.209 120.570 0.006 0.000 2.286 116 I HA -0.109 4.060 4.170 -0.000 0.000 0.245 116 I C 2.579 178.714 176.117 0.029 0.000 1.104 116 I CA 1.277 62.620 61.300 0.072 0.000 1.397 116 I CB -1.412 36.648 38.000 0.100 0.000 1.072 116 I HN 0.256 nan 8.210 nan 0.000 0.417 117 S N 0.301 115.972 115.700 -0.048 0.000 2.370 117 S HA -0.244 4.226 4.470 -0.000 0.000 0.226 117 S C 2.041 176.601 174.600 -0.066 0.000 1.033 117 S CA 1.537 59.704 58.200 -0.055 0.000 1.011 117 S CB -0.480 62.682 63.200 -0.062 0.000 0.852 117 S HN 0.452 nan 8.310 nan 0.000 0.457 118 Y N 1.601 121.731 120.300 -0.283 0.000 2.130 118 Y HA 0.034 4.583 4.550 -0.000 0.000 0.287 118 Y C 1.956 177.793 175.900 -0.106 0.000 1.124 118 Y CA 1.380 59.328 58.100 -0.252 0.000 1.118 118 Y CB -0.241 37.927 38.460 -0.487 0.000 0.994 118 Y HN 0.117 nan 8.280 nan 0.000 0.497 119 L N -1.364 119.922 121.223 0.104 0.000 2.179 119 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 119 L C 1.775 178.670 176.870 0.041 0.000 1.096 119 L CA 0.563 55.456 54.840 0.088 0.000 0.779 119 L CB -0.326 41.816 42.059 0.138 0.000 0.922 119 L HN 0.166 nan 8.230 nan 0.000 0.443 120 V N -0.900 119.053 119.914 0.064 0.000 2.635 120 V HA -0.066 4.054 4.120 -0.000 0.000 0.233 120 V C 1.712 177.843 176.094 0.061 0.000 1.097 120 V CA 0.998 63.356 62.300 0.097 0.000 1.134 120 V CB -0.323 31.634 31.823 0.222 0.000 0.841 120 V HN 0.190 nan 8.190 nan 0.000 0.496 121 D N 0.825 121.269 120.400 0.073 0.000 2.103 121 D HA -0.187 4.453 4.640 -0.000 0.000 0.190 121 D C 2.080 178.371 176.300 -0.015 0.000 0.997 121 D CA 1.363 55.388 54.000 0.041 0.000 0.833 121 D CB -0.243 40.587 40.800 0.050 0.000 0.961 121 D HN 0.095 nan 8.370 nan 0.000 0.447 122 L N 0.565 121.752 121.223 -0.060 0.000 2.093 122 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 122 L C 1.965 178.788 176.870 -0.079 0.000 1.085 122 L CA 1.579 56.365 54.840 -0.090 0.000 0.755 122 L CB -0.993 40.953 42.059 -0.188 0.000 0.904 122 L HN 0.095 nan 8.230 nan 0.000 0.435 123 D N -0.318 120.031 120.400 -0.086 0.000 2.097 123 D HA -0.224 4.416 4.640 -0.000 0.000 0.195 123 D C 2.331 178.637 176.300 0.011 0.000 0.989 123 D CA 1.378 55.353 54.000 -0.043 0.000 0.827 123 D CB 0.095 40.879 40.800 -0.027 0.000 0.966 123 D HN 0.180 nan 8.370 nan 0.000 0.456 124 M N -0.627 118.987 119.600 0.024 0.000 2.229 124 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 124 M C 2.182 178.537 176.300 0.092 0.000 1.063 124 M CA 0.538 55.876 55.300 0.064 0.000 1.114 124 M CB 0.064 32.692 32.600 0.046 0.000 1.387 124 M HN -0.017 nan 8.290 nan 0.000 0.420 125 V N 0.928 120.873 119.914 0.051 0.000 2.295 125 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 125 V C 2.283 178.438 176.094 0.102 0.000 1.049 125 V CA 1.710 64.053 62.300 0.072 0.000 1.024 125 V CB -0.577 31.267 31.823 0.035 0.000 0.648 125 V HN 0.454 nan 8.190 nan 0.000 0.447 126 L N -0.630 120.635 121.223 0.070 0.000 2.046 126 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 126 L C 2.583 179.514 176.870 0.103 0.000 1.077 126 L CA 1.775 56.662 54.840 0.077 0.000 0.747 126 L CB -0.640 41.444 42.059 0.042 0.000 0.896 126 L HN 0.269 nan 8.230 nan 0.000 0.432 127 K N -0.826 119.633 120.400 0.099 0.000 2.097 127 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 127 K C 2.307 179.007 176.600 0.166 0.000 1.049 127 K CA 1.600 57.955 56.287 0.112 0.000 0.933 127 K CB -0.416 32.135 32.500 0.084 0.000 0.717 127 K HN 0.408 nan 8.250 nan 0.000 0.442 128 C N 1.040 120.464 119.300 0.206 0.000 2.453 128 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 128 C C 2.402 177.610 174.990 0.363 0.000 1.262 128 C CA 0.451 59.650 59.018 0.302 0.000 1.718 128 C CB -0.878 27.106 27.740 0.407 0.000 2.031 128 C HN 0.388 nan 8.230 nan 0.000 0.480 129 L N 0.328 121.718 121.223 0.279 0.000 2.056 129 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 129 L C 3.029 180.037 176.870 0.230 0.000 1.078 129 L CA 1.636 56.633 54.840 0.261 0.000 0.749 129 L CB -0.679 41.492 42.059 0.188 0.000 0.901 129 L HN 0.329 nan 8.230 nan 0.000 0.433 130 R N -1.323 119.284 120.500 0.179 0.000 2.115 130 R HA -0.187 4.153 4.340 -0.000 0.000 0.230 130 R C 2.257 178.621 176.300 0.108 0.000 1.111 130 R CA 1.359 57.534 56.100 0.125 0.000 0.976 130 R CB -0.375 29.983 30.300 0.096 0.000 0.870 130 R HN 0.279 nan 8.270 nan 0.000 0.445 131 Y N 0.094 120.401 120.300 0.012 0.000 2.133 131 Y HA -0.249 4.300 4.550 -0.000 0.000 0.287 131 Y C 1.637 177.478 175.900 -0.097 0.000 1.134 131 Y CA 1.459 59.502 58.100 -0.096 0.000 1.133 131 Y CB -0.418 37.943 38.460 -0.165 0.000 0.987 131 Y HN -0.008 nan 8.280 nan 0.000 0.502 132 Y N -0.239 120.168 120.300 0.177 0.000 2.352 132 Y HA -0.141 4.408 4.550 -0.000 0.000 0.292 132 Y C 2.597 178.540 175.900 0.073 0.000 1.136 132 Y CA 0.771 58.953 58.100 0.137 0.000 1.227 132 Y CB -0.509 38.072 38.460 0.201 0.000 0.991 132 Y HN 0.282 nan 8.280 nan 0.000 0.545 133 A N 0.100 123.021 122.820 0.168 0.000 1.940 133 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 133 A C 2.504 180.096 177.584 0.013 0.000 1.176 133 A CA 1.770 53.872 52.037 0.108 0.000 0.631 133 A CB -1.400 17.649 19.000 0.082 0.000 0.814 133 A HN 0.472 nan 8.150 nan 0.000 0.446 134 G N -2.362 106.370 108.800 -0.114 0.000 2.443 134 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 134 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 134 G C 1.319 176.043 174.900 -0.293 0.000 1.131 134 G CA 0.679 45.630 45.100 -0.248 0.000 0.775 134 G HN 0.683 nan 8.290 nan 0.000 0.547 135 W N 0.627 121.818 121.300 -0.181 0.000 2.770 135 W HA 0.307 4.967 4.660 -0.000 0.000 0.256 135 W C 2.731 179.232 176.519 -0.030 0.000 1.291 135 W CA 0.177 57.450 57.345 -0.121 0.000 1.396 135 W CB 0.316 29.720 29.460 -0.094 0.000 1.114 135 W HN 0.246 nan 8.180 nan 0.000 0.637 136 A N 1.119 124.069 122.820 0.217 0.000 1.927 136 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 136 A C 1.299 178.957 177.584 0.123 0.000 1.185 136 A CA 2.411 54.542 52.037 0.157 0.000 0.639 136 A CB -0.798 18.265 19.000 0.105 0.000 0.820 136 A HN 0.364 nan 8.150 nan 0.000 0.451 137 D N -2.492 117.961 120.400 0.088 0.000 2.593 137 D HA 0.237 4.877 4.640 -0.000 0.000 0.241 137 D C 0.497 176.817 176.300 0.033 0.000 1.257 137 D CA -0.061 53.976 54.000 0.062 0.000 0.828 137 D CB 0.082 40.905 40.800 0.039 0.000 1.049 137 D HN 0.462 nan 8.370 nan 0.000 0.490 138 K N -0.791 119.642 120.400 0.055 0.000 2.517 138 K HA 0.055 4.375 4.320 -0.000 0.000 0.210 138 K C -0.391 176.110 176.600 -0.165 0.000 1.166 138 K CA -0.451 55.761 56.287 -0.124 0.000 1.030 138 K CB 0.805 33.259 32.500 -0.077 0.000 0.974 138 K HN -0.040 nan 8.250 nan 0.000 0.585 139 Y N 3.213 123.502 120.300 -0.018 0.000 2.570 139 Y HA 0.108 4.657 4.550 -0.000 0.000 0.336 139 Y C -0.434 175.434 175.900 -0.053 0.000 1.284 139 Y CA -1.103 56.996 58.100 -0.001 0.000 1.761 139 Y CB -1.119 37.370 38.460 0.048 0.000 1.724 139 Y HN 0.076 nan 8.280 nan 0.000 0.455 140 H N 0.792 119.845 119.070 -0.029 0.000 2.790 140 H HA 0.357 4.913 4.556 -0.000 0.000 0.358 140 H C 0.977 175.906 175.328 -0.665 0.000 1.103 140 H CA 0.351 56.266 56.048 -0.222 0.000 1.426 140 H CB 0.758 30.454 29.762 -0.110 0.000 1.424 140 H HN 0.694 nan 8.280 nan 0.000 0.599 141 G N 0.861 109.345 108.800 -0.527 0.000 2.510 141 G HA2 0.445 4.404 3.960 -0.000 0.000 0.280 141 G HA3 0.445 4.404 3.960 -0.000 0.000 0.280 141 G C -0.718 174.024 174.900 -0.265 0.000 1.386 141 G CA -0.851 43.797 45.100 -0.753 0.000 1.047 141 G HN 0.547 nan 8.290 nan 0.000 0.527 142 K N -0.766 119.565 120.400 -0.116 0.000 2.435 142 K HA 0.534 4.854 4.320 -0.000 0.000 0.251 142 K C -0.926 175.706 176.600 0.053 0.000 0.954 142 K CA -0.693 55.580 56.287 -0.024 0.000 0.820 142 K CB 2.189 34.686 32.500 -0.005 0.000 1.292 142 K HN 0.611 nan 8.250 nan 0.000 0.436 143 T N -0.833 113.767 114.554 0.076 0.000 2.771 143 T HA 0.619 4.969 4.350 -0.000 0.000 0.281 143 T C -0.032 174.742 174.700 0.124 0.000 0.982 143 T CA -0.737 61.461 62.100 0.164 0.000 0.978 143 T CB 0.194 69.202 68.868 0.232 0.000 0.930 143 T HN 0.385 nan 8.240 nan 0.000 0.447 144 I N 4.775 125.420 120.570 0.125 0.000 2.406 144 I HA 0.352 4.522 4.170 -0.000 0.000 0.290 144 I C -1.983 174.199 176.117 0.109 0.000 0.999 144 I CA -2.814 58.537 61.300 0.085 0.000 1.124 144 I CB 2.683 40.706 38.000 0.038 0.000 1.289 144 I HN 0.492 nan 8.210 nan 0.000 0.441 145 P HA 0.171 nan 4.420 nan 0.000 0.226 145 P C -0.007 177.342 177.300 0.081 0.000 1.783 145 P CA 0.066 63.221 63.100 0.092 0.000 0.980 145 P CB 0.157 31.896 31.700 0.066 0.000 1.967 146 I N 1.010 121.636 120.570 0.093 0.000 2.938 146 I HA 0.043 4.213 4.170 -0.000 0.000 0.285 146 I C 0.283 176.469 176.117 0.115 0.000 1.182 146 I CA -0.066 61.279 61.300 0.076 0.000 1.388 146 I CB 0.640 38.670 38.000 0.050 0.000 1.390 146 I HN 0.031 nan 8.210 nan 0.000 0.600 147 D N 4.599 125.056 120.400 0.095 0.000 2.382 147 D HA 0.430 5.070 4.640 -0.000 0.000 0.240 147 D C 0.353 176.795 176.300 0.238 0.000 1.146 147 D CA 1.175 55.247 54.000 0.120 0.000 0.897 147 D CB 0.878 41.727 40.800 0.081 0.000 1.197 147 D HN 0.947 nan 8.370 nan 0.000 0.432 148 G N 1.502 110.430 108.800 0.212 0.000 2.757 148 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.638 148 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.638 148 G C -0.773 174.185 174.900 0.097 0.000 1.344 148 G CA -0.748 44.504 45.100 0.252 0.000 0.855 148 G HN 0.497 nan 8.290 nan 0.000 0.537 149 D N 0.986 121.202 120.400 -0.306 0.000 2.608 149 D HA 0.492 5.132 4.640 -0.000 0.000 0.224 149 D C -0.112 175.683 176.300 -0.841 0.000 1.123 149 D CA 0.973 54.699 54.000 -0.458 0.000 1.030 149 D CB -0.516 40.045 40.800 -0.398 0.000 1.093 149 D HN 0.287 nan 8.370 nan 0.000 0.497 150 F N 0.424 120.419 119.950 0.075 0.000 2.613 150 F HA 0.378 4.905 4.527 -0.000 0.000 0.310 150 F C -0.448 175.468 175.800 0.195 0.000 1.085 150 F CA -1.450 56.614 58.000 0.107 0.000 0.945 150 F CB 1.562 40.598 39.000 0.061 0.000 1.298 150 F HN -0.145 nan 8.300 nan 0.000 0.455 151 F N 2.065 122.158 119.950 0.239 0.000 2.426 151 F HA 0.703 5.230 4.527 -0.000 0.000 0.348 151 F C -0.597 175.333 175.800 0.216 0.000 1.124 151 F CA -1.170 56.943 58.000 0.189 0.000 1.008 151 F CB 1.218 40.317 39.000 0.165 0.000 1.139 151 F HN 0.284 nan 8.300 nan 0.000 0.452 152 S N 6.743 122.448 115.700 0.008 0.000 2.521 152 S HA 0.810 5.280 4.470 -0.000 0.000 0.295 152 S C -1.476 173.000 174.600 -0.207 0.000 1.098 152 S CA -0.299 57.778 58.200 -0.205 0.000 0.999 152 S CB 0.721 63.876 63.200 -0.075 0.000 1.034 152 S HN 0.714 nan 8.310 nan 0.000 0.483 153 Y N 0.019 120.072 120.300 -0.411 0.000 2.670 153 Y HA 0.785 5.335 4.550 -0.000 0.000 0.334 153 Y C -0.628 175.168 175.900 -0.173 0.000 1.185 153 Y CA -1.062 56.868 58.100 -0.283 0.000 1.053 153 Y CB 0.886 39.121 38.460 -0.375 0.000 1.298 153 Y HN 0.541 nan 8.280 nan 0.000 0.459 154 T N -0.329 114.272 114.554 0.079 0.000 2.863 154 T HA 0.699 5.049 4.350 -0.000 0.000 0.285 154 T C -0.907 173.865 174.700 0.122 0.000 1.009 154 T CA -1.066 61.053 62.100 0.031 0.000 0.989 154 T CB 1.843 70.746 68.868 0.059 0.000 1.004 154 T HN 0.805 nan 8.240 nan 0.000 0.455 155 R N 1.198 121.771 120.500 0.122 0.000 2.393 155 R HA 0.333 4.673 4.340 -0.000 0.000 0.310 155 R C -0.416 176.023 176.300 0.233 0.000 0.968 155 R CA -0.692 55.497 56.100 0.148 0.000 0.867 155 R CB 1.064 31.446 30.300 0.136 0.000 1.124 155 R HN 0.732 nan 8.270 nan 0.000 0.450 156 H N 2.418 121.519 119.070 0.051 0.000 2.820 156 H HA 0.124 4.680 4.556 -0.000 0.000 0.278 156 H C -0.285 175.106 175.328 0.104 0.000 1.142 156 H CA -0.336 55.748 56.048 0.061 0.000 1.346 156 H CB 0.936 30.714 29.762 0.027 0.000 1.438 156 H HN 0.395 nan 8.280 nan 0.000 0.473 157 E N 4.136 124.458 120.200 0.204 0.000 2.250 157 E HA 0.244 4.594 4.350 -0.000 0.000 0.265 157 E C -2.470 174.251 176.600 0.201 0.000 1.033 157 E CA -2.285 54.223 56.400 0.181 0.000 0.888 157 E CB 1.112 30.904 29.700 0.154 0.000 1.151 157 E HN 0.381 nan 8.360 nan 0.000 0.412 158 P HA -0.047 nan 4.420 nan 0.000 0.275 158 P C 0.561 177.986 177.300 0.209 0.000 1.227 158 P CA -0.050 63.220 63.100 0.282 0.000 0.781 158 P CB 0.810 32.792 31.700 0.470 0.000 0.906 159 V N 2.365 122.342 119.914 0.105 0.000 2.594 159 V HA 0.021 4.141 4.120 -0.000 0.000 0.253 159 V C 1.059 177.079 176.094 -0.122 0.000 1.069 159 V CA 2.766 65.071 62.300 0.008 0.000 1.082 159 V CB -1.170 30.636 31.823 -0.028 0.000 0.680 159 V HN 0.966 nan 8.190 nan 0.000 0.469 160 G N -1.117 107.488 108.800 -0.324 0.000 2.348 160 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.199 160 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.199 160 G C -0.507 174.016 174.900 -0.627 0.000 1.235 160 G CA -0.251 44.302 45.100 -0.911 0.000 1.264 160 G HN 0.563 nan 8.290 nan 0.000 0.543 161 V N 1.079 120.730 119.914 -0.438 0.000 2.415 161 V HA 0.402 4.522 4.120 -0.000 0.000 0.267 161 V C 0.436 176.457 176.094 -0.123 0.000 1.042 161 V CA -0.107 62.057 62.300 -0.226 0.000 1.000 161 V CB 0.237 31.958 31.823 -0.170 0.000 1.015 161 V HN 0.821 nan 8.190 nan 0.000 0.478 162 C N 4.892 124.160 119.300 -0.053 0.000 2.281 162 C HA 0.699 5.159 4.460 -0.000 0.000 0.325 162 C C 1.030 176.037 174.990 0.028 0.000 1.282 162 C CA -0.944 58.088 59.018 0.024 0.000 1.640 162 C CB 0.369 28.209 27.740 0.167 0.000 2.288 162 C HN 0.999 nan 8.230 nan 0.000 0.507 163 G N 2.853 111.668 108.800 0.026 0.000 2.353 163 G HA2 0.534 4.494 3.960 -0.000 0.000 0.284 163 G HA3 0.534 4.494 3.960 -0.000 0.000 0.284 163 G C -0.845 174.104 174.900 0.081 0.000 1.172 163 G CA -0.136 44.987 45.100 0.038 0.000 0.854 163 G HN 0.808 nan 8.290 nan 0.000 0.485 164 Q N 1.610 121.462 119.800 0.086 0.000 2.290 164 Q HA 0.384 4.723 4.340 -0.000 0.000 0.269 164 Q C -0.833 175.232 176.000 0.107 0.000 1.016 164 Q CA -0.395 55.474 55.803 0.110 0.000 0.754 164 Q CB 2.619 31.419 28.738 0.102 0.000 1.247 164 Q HN 0.516 nan 8.270 nan 0.000 0.451 165 I N 4.903 125.560 120.570 0.146 0.000 2.339 165 I HA 0.470 4.639 4.170 -0.000 0.000 0.290 165 I C -0.079 176.060 176.117 0.037 0.000 0.994 165 I CA -0.792 60.603 61.300 0.159 0.000 1.191 165 I CB 0.892 39.095 38.000 0.340 0.000 1.343 165 I HN 0.533 nan 8.210 nan 0.000 0.458 166 I N 5.523 126.095 120.570 0.003 0.000 2.846 166 I HA 0.757 4.926 4.170 -0.000 0.000 0.307 166 I C -2.693 173.370 176.117 -0.090 0.000 1.053 166 I CA -2.195 59.056 61.300 -0.081 0.000 1.050 166 I CB 2.237 40.215 38.000 -0.037 0.000 1.239 166 I HN 0.226 nan 8.210 nan 0.000 0.439 167 P HA 0.195 nan 4.420 nan 0.000 0.306 167 P C -0.224 176.983 177.300 -0.155 0.000 1.309 167 P CA -0.177 62.774 63.100 -0.248 0.000 0.759 167 P CB 0.658 32.071 31.700 -0.478 0.000 1.314 168 W N 0.053 121.355 121.300 0.004 0.000 3.177 168 W HA 0.078 4.738 4.660 -0.000 0.000 0.309 168 W C 0.834 177.302 176.519 -0.084 0.000 1.224 168 W CA 0.132 57.463 57.345 -0.023 0.000 1.718 168 W CB -1.498 27.957 29.460 -0.008 0.000 1.078 168 W HN 0.195 nan 8.180 nan 0.000 0.618 169 N N 2.073 120.531 118.700 -0.403 0.000 2.244 169 N HA -0.170 4.570 4.740 -0.000 0.000 0.183 169 N C -0.163 174.925 175.510 -0.703 0.000 1.016 169 N CA 0.876 53.657 53.050 -0.449 0.000 0.866 169 N CB -1.089 37.046 38.487 -0.588 0.000 0.980 169 N HN 0.098 nan 8.380 nan 0.000 0.430 170 F N -0.522 119.293 119.950 -0.226 0.000 2.794 170 F HA 0.418 4.945 4.527 -0.000 0.000 0.353 170 F C -1.870 173.797 175.800 -0.220 0.000 1.371 170 F CA -2.014 55.836 58.000 -0.251 0.000 1.173 170 F CB 2.137 40.900 39.000 -0.395 0.000 1.693 170 F HN -0.191 nan 8.300 nan 0.000 0.606 171 P HA -0.221 nan 4.420 nan 0.000 0.213 171 P C 1.940 179.227 177.300 -0.021 0.000 1.176 171 P CA 1.743 64.840 63.100 -0.005 0.000 0.919 171 P CB 0.417 32.127 31.700 0.016 0.000 0.791 172 L N -2.022 119.191 121.223 -0.018 0.000 2.027 172 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 172 L C 2.458 179.284 176.870 -0.072 0.000 1.074 172 L CA 0.977 55.805 54.840 -0.020 0.000 0.745 172 L CB -0.975 41.084 42.059 -0.000 0.000 0.898 172 L HN -0.018 nan 8.230 nan 0.000 0.433 173 L N -0.621 120.518 121.223 -0.140 0.000 2.046 173 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 173 L C 2.495 179.051 176.870 -0.524 0.000 1.077 173 L CA 1.821 56.453 54.840 -0.347 0.000 0.747 173 L CB -0.414 41.334 42.059 -0.519 0.000 0.896 173 L HN 0.182 nan 8.230 nan 0.000 0.432 174 M N -1.225 118.127 119.600 -0.413 0.000 2.159 174 M HA -0.237 4.243 4.480 -0.000 0.000 0.263 174 M C 2.262 178.517 176.300 -0.076 0.000 1.063 174 M CA 1.725 56.849 55.300 -0.292 0.000 1.110 174 M CB -0.977 31.513 32.600 -0.183 0.000 1.374 174 M HN 0.499 nan 8.290 nan 0.000 0.411 175 Q N 0.321 120.087 119.800 -0.057 0.000 2.084 175 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 175 Q C 2.016 178.031 176.000 0.024 0.000 0.978 175 Q CA 1.887 57.685 55.803 -0.007 0.000 0.844 175 Q CB -0.015 28.718 28.738 -0.009 0.000 0.898 175 Q HN 0.479 nan 8.270 nan 0.000 0.426 176 A N 0.073 122.913 122.820 0.035 0.000 1.898 176 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 176 A C 1.558 179.297 177.584 0.258 0.000 1.181 176 A CA 1.152 53.262 52.037 0.121 0.000 0.620 176 A CB -1.107 17.974 19.000 0.135 0.000 0.819 176 A HN 0.628 nan 8.150 nan 0.000 0.442 177 W N 0.597 121.910 121.300 0.022 0.000 2.350 177 W HA -0.080 4.580 4.660 -0.000 0.000 0.289 177 W C 2.124 178.627 176.519 -0.026 0.000 1.215 177 W CA 1.359 58.726 57.345 0.037 0.000 1.236 177 W CB -0.282 29.196 29.460 0.029 0.000 1.130 177 W HN 0.253 nan 8.180 nan 0.000 0.541 178 K N -0.278 120.236 120.400 0.190 0.000 2.044 178 K HA 0.038 4.358 4.320 -0.000 0.000 0.204 178 K C 2.095 178.623 176.600 -0.120 0.000 1.045 178 K CA 0.787 57.105 56.287 0.052 0.000 0.951 178 K CB -1.036 31.511 32.500 0.079 0.000 0.738 178 K HN 0.205 nan 8.250 nan 0.000 0.443 179 L N 0.489 121.667 121.223 -0.075 0.000 2.046 179 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 179 L C 2.518 179.298 176.870 -0.151 0.000 1.077 179 L CA 1.420 56.183 54.840 -0.128 0.000 0.747 179 L CB -1.155 40.842 42.059 -0.103 0.000 0.896 179 L HN 0.288 nan 8.230 nan 0.000 0.432 180 G N 1.263 110.011 108.800 -0.087 0.000 2.586 180 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 180 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 180 G C -0.508 174.146 174.900 -0.410 0.000 1.216 180 G CA 1.168 46.228 45.100 -0.065 0.000 0.786 180 G HN 0.321 nan 8.290 nan 0.000 0.583 181 P HA -0.001 nan 4.420 nan 0.000 0.217 181 P C 2.028 178.903 177.300 -0.709 0.000 1.151 181 P CA 1.959 64.455 63.100 -1.007 0.000 0.828 181 P CB -0.148 30.935 31.700 -1.028 0.000 0.788 182 A N 0.485 122.765 122.820 -0.899 0.000 1.877 182 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 182 A C 2.442 179.944 177.584 -0.137 0.000 1.186 182 A CA 1.484 53.092 52.037 -0.715 0.000 0.620 182 A CB -1.575 17.060 19.000 -0.608 0.000 0.822 182 A HN 0.124 nan 8.150 nan 0.000 0.443 183 L N -0.984 120.221 121.223 -0.029 0.000 2.109 183 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 183 L C 3.038 180.098 176.870 0.316 0.000 1.086 183 L CA 0.798 55.814 54.840 0.294 0.000 0.760 183 L CB -0.585 41.636 42.059 0.270 0.000 0.910 183 L HN 0.417 nan 8.230 nan 0.000 0.437 184 A N 0.364 123.274 122.820 0.150 0.000 1.978 184 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 184 A C 2.216 179.871 177.584 0.119 0.000 1.170 184 A CA 2.234 54.368 52.037 0.162 0.000 0.636 184 A CB -0.853 18.263 19.000 0.195 0.000 0.810 184 A HN 0.512 nan 8.150 nan 0.000 0.448 185 T N -4.467 110.136 114.554 0.081 0.000 3.122 185 T HA 0.429 4.779 4.350 -0.000 0.000 0.250 185 T C 1.211 175.993 174.700 0.137 0.000 1.067 185 T CA 0.929 63.090 62.100 0.102 0.000 0.966 185 T CB 0.043 68.963 68.868 0.087 0.000 1.002 185 T HN 1.691 nan 8.240 nan 0.000 0.542 186 G N 1.619 110.511 108.800 0.153 0.000 2.143 186 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.248 186 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.248 186 G C 0.003 175.229 174.900 0.544 0.000 0.991 186 G CA -0.201 44.971 45.100 0.119 0.000 0.689 186 G HN 0.592 nan 8.290 nan 0.000 0.522 187 N N -0.642 118.363 118.700 0.509 0.000 2.379 187 N HA 0.591 5.331 4.740 -0.000 0.000 0.260 187 N C 0.533 176.318 175.510 0.459 0.000 1.254 187 N CA 0.505 53.801 53.050 0.411 0.000 0.958 187 N CB 1.752 40.367 38.487 0.215 0.000 1.208 187 N HN 0.732 nan 8.380 nan 0.000 0.532 188 V N -2.207 117.818 119.914 0.185 0.000 2.815 188 V HA 0.734 4.854 4.120 -0.000 0.000 0.314 188 V C -0.221 175.860 176.094 -0.021 0.000 1.064 188 V CA -0.732 61.597 62.300 0.049 0.000 0.952 188 V CB 1.684 33.545 31.823 0.064 0.000 1.020 188 V HN 0.244 nan 8.190 nan 0.000 0.439 189 V N 2.682 122.558 119.914 -0.063 0.000 2.735 189 V HA 0.613 4.733 4.120 -0.000 0.000 0.310 189 V C -0.524 175.542 176.094 -0.045 0.000 1.061 189 V CA -0.534 61.738 62.300 -0.047 0.000 0.913 189 V CB 2.086 33.871 31.823 -0.064 0.000 1.005 189 V HN 0.798 nan 8.190 nan 0.000 0.428 190 V N 5.372 125.270 119.914 -0.026 0.000 2.357 190 V HA 0.443 4.563 4.120 -0.000 0.000 0.281 190 V C -0.215 175.886 176.094 0.011 0.000 1.015 190 V CA -0.215 62.073 62.300 -0.020 0.000 0.827 190 V CB 1.370 33.165 31.823 -0.047 0.000 1.018 190 V HN 0.900 nan 8.190 nan 0.000 0.432 191 M N 5.039 124.652 119.600 0.022 0.000 2.300 191 M HA 0.573 5.053 4.480 -0.000 0.000 0.348 191 M C -0.577 175.758 176.300 0.058 0.000 1.151 191 M CA -0.467 54.856 55.300 0.039 0.000 1.046 191 M CB 1.207 33.821 32.600 0.023 0.000 1.647 191 M HN 0.348 nan 8.290 nan 0.000 0.451 192 K N 5.574 126.017 120.400 0.070 0.000 2.449 192 K HA 0.353 4.673 4.320 -0.000 0.000 0.257 192 K C -1.245 175.404 176.600 0.082 0.000 0.989 192 K CA -0.391 55.944 56.287 0.080 0.000 0.916 192 K CB 0.735 33.288 32.500 0.089 0.000 1.136 192 K HN 0.691 nan 8.250 nan 0.000 0.439 193 V N 1.029 120.994 119.914 0.084 0.000 2.953 193 V HA 0.597 4.717 4.120 -0.000 0.000 0.304 193 V C 0.575 176.728 176.094 0.099 0.000 1.073 193 V CA -1.058 61.295 62.300 0.087 0.000 1.064 193 V CB 0.933 32.814 31.823 0.097 0.000 1.047 193 V HN 0.694 nan 8.190 nan 0.000 0.478 194 A N 3.041 125.931 122.820 0.117 0.000 2.511 194 A HA 0.255 4.575 4.320 -0.000 0.000 0.242 194 A C 1.357 179.025 177.584 0.140 0.000 1.069 194 A CA 0.327 52.460 52.037 0.161 0.000 0.763 194 A CB 0.042 19.204 19.000 0.270 0.000 1.001 194 A HN 1.143 nan 8.150 nan 0.000 0.498 195 E N 2.121 122.358 120.200 0.061 0.000 2.204 195 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 195 E C 1.095 177.801 176.600 0.177 0.000 0.990 195 E CA 1.705 58.085 56.400 -0.033 0.000 0.821 195 E CB -0.267 29.174 29.700 -0.432 0.000 0.750 195 E HN 0.823 nan 8.360 nan 0.000 0.477 196 Q N 0.775 120.653 119.800 0.130 0.000 2.172 196 Q HA -0.004 4.336 4.340 -0.000 0.000 0.200 196 Q C 0.752 176.808 176.000 0.094 0.000 0.964 196 Q CA 1.757 57.600 55.803 0.066 0.000 0.855 196 Q CB 0.338 29.006 28.738 -0.117 0.000 0.918 196 Q HN 0.466 nan 8.270 nan 0.000 0.444 197 T N -3.447 111.194 114.554 0.146 0.000 3.542 197 T HA 0.303 4.653 4.350 -0.000 0.000 0.276 197 T C -2.453 172.315 174.700 0.114 0.000 1.412 197 T CA -1.357 60.811 62.100 0.115 0.000 1.664 197 T CB 1.171 70.116 68.868 0.130 0.000 0.863 197 T HN -0.040 nan 8.240 nan 0.000 0.661 198 P HA 0.198 nan 4.420 nan 0.000 0.234 198 P C 1.624 178.978 177.300 0.091 0.000 1.175 198 P CA -0.096 63.076 63.100 0.121 0.000 0.801 198 P CB 0.366 32.166 31.700 0.167 0.000 0.891 199 L N 0.662 121.919 121.223 0.057 0.000 1.970 199 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 199 L C 2.840 179.768 176.870 0.098 0.000 1.071 199 L CA 2.793 57.665 54.840 0.053 0.000 0.751 199 L CB -2.286 39.778 42.059 0.008 0.000 0.889 199 L HN 0.096 nan 8.230 nan 0.000 0.432 200 T N -1.975 112.623 114.554 0.073 0.000 2.759 200 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 200 T C 1.944 176.732 174.700 0.146 0.000 1.042 200 T CA 1.076 63.236 62.100 0.101 0.000 1.140 200 T CB -0.493 68.401 68.868 0.042 0.000 0.864 200 T HN 0.348 nan 8.240 nan 0.000 0.455 201 A N 1.521 124.404 122.820 0.105 0.000 1.930 201 A HA 0.206 4.526 4.320 -0.000 0.000 0.217 201 A C 2.453 180.096 177.584 0.099 0.000 1.175 201 A CA 1.146 53.232 52.037 0.082 0.000 0.627 201 A CB -0.821 18.217 19.000 0.063 0.000 0.815 201 A HN 0.551 nan 8.150 nan 0.000 0.443 202 L N -2.299 119.021 121.223 0.162 0.000 2.093 202 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 202 L C 2.566 179.606 176.870 0.283 0.000 1.085 202 L CA 1.571 56.567 54.840 0.260 0.000 0.755 202 L CB -0.577 41.626 42.059 0.241 0.000 0.904 202 L HN 0.587 nan 8.230 nan 0.000 0.435 203 Y N 0.235 120.618 120.300 0.138 0.000 2.242 203 Y HA -0.182 4.368 4.550 -0.000 0.000 0.291 203 Y C 2.380 178.347 175.900 0.111 0.000 1.137 203 Y CA 1.268 59.467 58.100 0.165 0.000 1.181 203 Y CB -0.146 38.467 38.460 0.255 0.000 0.989 203 Y HN -0.178 nan 8.280 nan 0.000 0.527 204 V N 0.479 120.458 119.914 0.109 0.000 2.594 204 V HA -0.338 3.782 4.120 -0.000 0.000 0.253 204 V C 2.608 178.582 176.094 -0.200 0.000 1.069 204 V CA 1.598 63.883 62.300 -0.025 0.000 1.082 204 V CB -1.488 30.351 31.823 0.025 0.000 0.680 204 V HN 0.581 nan 8.190 nan 0.000 0.469 205 A N 0.199 122.845 122.820 -0.289 0.000 1.933 205 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 205 A C 2.077 179.238 177.584 -0.706 0.000 1.175 205 A CA 2.182 53.758 52.037 -0.769 0.000 0.628 205 A CB -0.701 17.572 19.000 -1.212 0.000 0.814 205 A HN 0.562 nan 8.150 nan 0.000 0.444 206 N N -0.047 118.486 118.700 -0.278 0.000 2.188 206 N HA -0.043 4.697 4.740 -0.000 0.000 0.184 206 N C 1.516 176.928 175.510 -0.162 0.000 1.018 206 N CA 1.164 54.159 53.050 -0.091 0.000 0.858 206 N CB -0.344 38.062 38.487 -0.135 0.000 0.989 206 N HN 0.515 nan 8.380 nan 0.000 0.426 207 L N -0.242 120.832 121.223 -0.248 0.000 2.217 207 L HA -0.009 4.331 4.340 -0.000 0.000 0.211 207 L C 1.926 178.788 176.870 -0.014 0.000 1.107 207 L CA 0.550 55.315 54.840 -0.124 0.000 0.783 207 L CB -0.258 41.743 42.059 -0.096 0.000 0.919 207 L HN 0.169 nan 8.230 nan 0.000 0.442 208 I N 0.176 120.706 120.570 -0.068 0.000 2.315 208 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 208 I C 2.727 178.954 176.117 0.183 0.000 1.117 208 I CA 1.307 62.612 61.300 0.007 0.000 1.404 208 I CB -0.196 37.659 38.000 -0.241 0.000 1.071 208 I HN 0.247 nan 8.210 nan 0.000 0.419 209 K N 1.153 121.635 120.400 0.135 0.000 2.025 209 K HA -0.246 4.074 4.320 -0.000 0.000 0.207 209 K C 2.107 178.787 176.600 0.133 0.000 1.049 209 K CA 1.639 58.039 56.287 0.188 0.000 0.933 209 K CB -0.093 32.543 32.500 0.226 0.000 0.714 209 K HN 0.231 nan 8.250 nan 0.000 0.438 210 E N -0.096 120.158 120.200 0.088 0.000 2.110 210 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 210 E C 1.647 178.293 176.600 0.077 0.000 0.988 210 E CA 0.978 57.416 56.400 0.062 0.000 0.804 210 E CB -0.105 29.609 29.700 0.023 0.000 0.745 210 E HN 0.455 nan 8.360 nan 0.000 0.458 211 A N -0.021 122.871 122.820 0.121 0.000 2.067 211 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 211 A C 1.866 179.470 177.584 0.035 0.000 1.158 211 A CA 1.446 53.550 52.037 0.112 0.000 0.661 211 A CB -0.475 18.672 19.000 0.245 0.000 0.801 211 A HN 0.528 nan 8.150 nan 0.000 0.452 212 G N -2.900 105.952 108.800 0.086 0.000 2.163 212 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.213 212 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.213 212 G C -0.007 174.911 174.900 0.031 0.000 0.991 212 G CA -0.182 44.941 45.100 0.039 0.000 0.653 212 G HN 0.289 nan 8.290 nan 0.000 0.518 213 F N 1.777 121.747 119.950 0.035 0.000 2.572 213 F HA 0.398 4.925 4.527 -0.000 0.000 0.370 213 F C -1.100 174.677 175.800 -0.038 0.000 1.103 213 F CA -1.256 56.732 58.000 -0.021 0.000 1.286 213 F CB 0.403 39.327 39.000 -0.127 0.000 1.105 213 F HN -0.088 nan 8.300 nan 0.000 0.583 214 P HA 0.041 nan 4.420 nan 0.000 0.267 214 P C -2.539 174.761 177.300 -0.000 0.000 1.200 214 P CA -0.811 62.336 63.100 0.078 0.000 0.772 214 P CB 0.042 31.824 31.700 0.136 0.000 0.855 215 P HA 0.069 nan 4.420 nan 0.000 0.265 215 P C 0.965 178.208 177.300 -0.094 0.000 1.193 215 P CA 1.226 64.279 63.100 -0.079 0.000 0.765 215 P CB 0.140 31.797 31.700 -0.071 0.000 0.823 216 G N 1.338 110.052 108.800 -0.143 0.000 2.217 216 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.246 216 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.246 216 G C 0.988 175.804 174.900 -0.140 0.000 0.990 216 G CA 0.233 45.259 45.100 -0.123 0.000 0.627 216 G HN 0.393 nan 8.290 nan 0.000 0.522 217 V N -0.092 119.689 119.914 -0.222 0.000 2.358 217 V HA 0.108 4.228 4.120 -0.000 0.000 0.246 217 V C 1.402 177.319 176.094 -0.295 0.000 1.047 217 V CA 1.958 64.015 62.300 -0.405 0.000 1.035 217 V CB 0.135 31.477 31.823 -0.802 0.000 0.658 217 V HN 0.399 nan 8.190 nan 0.000 0.452 218 V N 1.631 121.422 119.914 -0.205 0.000 2.483 218 V HA 0.475 4.595 4.120 -0.000 0.000 0.297 218 V C -0.858 175.254 176.094 0.029 0.000 1.027 218 V CA -0.772 61.452 62.300 -0.128 0.000 0.855 218 V CB 1.767 33.464 31.823 -0.210 0.000 0.995 218 V HN 0.427 nan 8.190 nan 0.000 0.424 219 N N 5.366 124.077 118.700 0.018 0.000 2.296 219 N HA 0.652 5.392 4.740 -0.000 0.000 0.294 219 N C -1.239 174.322 175.510 0.085 0.000 1.033 219 N CA -0.420 52.669 53.050 0.065 0.000 0.839 219 N CB 3.073 41.537 38.487 -0.038 0.000 1.395 219 N HN 0.493 nan 8.380 nan 0.000 0.479 220 I N 1.524 122.189 120.570 0.158 0.000 2.418 220 I HA 0.323 4.493 4.170 -0.000 0.000 0.287 220 I C -0.483 175.721 176.117 0.144 0.000 1.008 220 I CA -0.987 60.386 61.300 0.121 0.000 1.104 220 I CB 2.120 40.177 38.000 0.095 0.000 1.264 220 I HN 0.048 nan 8.210 nan 0.000 0.438 221 V N 7.919 127.901 119.914 0.113 0.000 2.304 221 V HA 0.310 4.430 4.120 -0.000 0.000 0.278 221 V C -2.090 174.080 176.094 0.126 0.000 1.018 221 V CA -1.565 60.806 62.300 0.119 0.000 0.814 221 V CB 1.136 33.007 31.823 0.080 0.000 1.021 221 V HN 0.566 nan 8.190 nan 0.000 0.440 222 P HA 0.590 nan 4.420 nan 0.000 0.274 222 P C 0.185 177.567 177.300 0.137 0.000 1.231 222 P CA 0.443 63.659 63.100 0.193 0.000 0.790 222 P CB 2.015 33.877 31.700 0.270 0.000 0.951 223 G N 0.382 109.141 108.800 -0.068 0.000 2.359 223 G HA2 0.238 4.198 3.960 -0.000 0.000 0.293 223 G HA3 0.238 4.198 3.960 -0.000 0.000 0.293 223 G C -1.436 173.116 174.900 -0.581 0.000 1.300 223 G CA -0.931 43.910 45.100 -0.433 0.000 0.888 223 G HN 0.265 nan 8.290 nan 0.000 0.541 224 F N 0.421 120.231 119.950 -0.233 0.000 2.375 224 F HA 0.513 5.040 4.527 -0.000 0.000 0.313 224 F C 1.936 177.707 175.800 -0.049 0.000 1.176 224 F CA 0.634 58.536 58.000 -0.164 0.000 1.142 224 F CB 1.068 39.970 39.000 -0.163 0.000 1.275 224 F HN 0.659 nan 8.300 nan 0.000 0.544 225 G N 0.254 109.181 108.800 0.211 0.000 2.424 225 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.214 225 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.214 225 G C -1.023 173.936 174.900 0.100 0.000 1.202 225 G CA 0.449 45.635 45.100 0.143 0.000 0.793 225 G HN 0.462 nan 8.290 nan 0.000 0.534 226 P HA -0.017 nan 4.420 nan 0.000 0.226 226 P C 1.709 179.037 177.300 0.047 0.000 1.146 226 P CA 1.904 65.027 63.100 0.038 0.000 0.773 226 P CB 0.037 31.742 31.700 0.008 0.000 0.772 227 T N -3.546 111.058 114.554 0.082 0.000 3.401 227 T HA 0.262 4.612 4.350 -0.000 0.000 0.225 227 T C 1.948 176.694 174.700 0.078 0.000 0.961 227 T CA 0.573 62.723 62.100 0.083 0.000 1.429 227 T CB -1.144 67.797 68.868 0.122 0.000 1.213 227 T HN -0.110 nan 8.240 nan 0.000 0.440 228 A N 1.762 124.634 122.820 0.086 0.000 1.877 228 A HA 0.250 4.570 4.320 -0.000 0.000 0.216 228 A C 2.629 180.258 177.584 0.076 0.000 1.186 228 A CA 1.941 54.022 52.037 0.074 0.000 0.620 228 A CB -1.761 17.276 19.000 0.062 0.000 0.822 228 A HN 0.683 nan 8.150 nan 0.000 0.443 229 G N -0.420 108.430 108.800 0.083 0.000 2.459 229 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.217 229 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.217 229 G C 1.776 176.714 174.900 0.063 0.000 1.183 229 G CA 1.645 46.799 45.100 0.090 0.000 0.776 229 G HN 0.847 nan 8.290 nan 0.000 0.552 230 A N 1.022 123.869 122.820 0.045 0.000 1.933 230 A HA 0.297 4.617 4.320 -0.000 0.000 0.218 230 A C 2.797 180.402 177.584 0.035 0.000 1.175 230 A CA 2.152 54.202 52.037 0.021 0.000 0.628 230 A CB -0.704 18.302 19.000 0.011 0.000 0.814 230 A HN 0.828 nan 8.150 nan 0.000 0.444 231 A N -0.032 122.820 122.820 0.054 0.000 1.933 231 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 231 A C 2.108 179.762 177.584 0.116 0.000 1.175 231 A CA 1.551 53.633 52.037 0.074 0.000 0.628 231 A CB -0.546 18.505 19.000 0.086 0.000 0.814 231 A HN 0.510 nan 8.150 nan 0.000 0.444 232 I N -0.475 120.153 120.570 0.097 0.000 2.202 232 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 232 I C 2.947 179.115 176.117 0.085 0.000 1.091 232 I CA 1.023 62.379 61.300 0.092 0.000 1.368 232 I CB -0.330 37.709 38.000 0.065 0.000 1.058 232 I HN 0.340 nan 8.210 nan 0.000 0.410 233 A N -0.350 122.502 122.820 0.053 0.000 2.019 233 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 233 A C 2.285 179.884 177.584 0.024 0.000 1.164 233 A CA 1.964 54.015 52.037 0.024 0.000 0.644 233 A CB -0.422 18.568 19.000 -0.017 0.000 0.805 233 A HN 0.398 nan 8.150 nan 0.000 0.449 234 S N -1.125 114.595 115.700 0.033 0.000 2.540 234 S HA 0.095 4.565 4.470 -0.000 0.000 0.218 234 S C 0.502 175.115 174.600 0.021 0.000 0.977 234 S CA -0.561 57.647 58.200 0.013 0.000 0.918 234 S CB -0.212 62.982 63.200 -0.010 0.000 0.806 234 S HN 0.669 nan 8.310 nan 0.000 0.496 235 H N 2.839 121.905 119.070 -0.008 0.000 2.964 235 H HA 0.080 4.636 4.556 -0.000 0.000 0.328 235 H C 0.845 176.168 175.328 -0.009 0.000 1.030 235 H CA 0.562 56.607 56.048 -0.006 0.000 1.445 235 H CB 0.646 30.406 29.762 -0.004 0.000 1.449 235 H HN 0.141 nan 8.280 nan 0.000 0.581 236 E N 3.072 123.251 120.200 -0.035 0.000 2.418 236 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 236 E C 0.608 177.308 176.600 0.167 0.000 1.026 236 E CA 0.739 57.166 56.400 0.043 0.000 0.862 236 E CB 0.246 29.921 29.700 -0.041 0.000 0.799 236 E HN 0.593 nan 8.360 nan 0.000 0.518 237 D N -0.465 120.193 120.400 0.430 0.000 2.479 237 D HA 0.051 4.691 4.640 -0.000 0.000 0.218 237 D C -0.687 175.641 176.300 0.046 0.000 1.177 237 D CA -0.035 54.085 54.000 0.201 0.000 0.830 237 D CB 0.682 41.592 40.800 0.184 0.000 1.014 237 D HN -0.215 nan 8.370 nan 0.000 0.503 238 V N 1.662 121.609 119.914 0.056 0.000 2.383 238 V HA 0.149 4.269 4.120 -0.000 0.000 0.275 238 V C 0.813 176.897 176.094 -0.018 0.000 1.036 238 V CA -0.362 61.919 62.300 -0.031 0.000 0.889 238 V CB 1.731 33.542 31.823 -0.020 0.000 0.985 238 V HN 0.079 nan 8.190 nan 0.000 0.459 239 D N 2.979 123.345 120.400 -0.056 0.000 2.249 239 D HA 0.049 4.689 4.640 -0.000 0.000 0.205 239 D C 0.768 177.033 176.300 -0.058 0.000 0.962 239 D CA 0.868 54.834 54.000 -0.057 0.000 0.860 239 D CB 0.610 41.353 40.800 -0.093 0.000 0.955 239 D HN 0.360 nan 8.370 nan 0.000 0.505 240 K N 0.625 120.990 120.400 -0.059 0.000 2.542 240 K HA 0.345 4.665 4.320 -0.000 0.000 0.259 240 K C -2.047 174.529 176.600 -0.040 0.000 0.932 240 K CA -0.603 55.641 56.287 -0.072 0.000 0.820 240 K CB 2.951 35.375 32.500 -0.126 0.000 1.345 240 K HN -0.143 nan 8.250 nan 0.000 0.432 241 V N 2.001 121.896 119.914 -0.032 0.000 2.656 241 V HA 0.841 4.961 4.120 -0.000 0.000 0.307 241 V C -1.399 174.714 176.094 0.032 0.000 1.051 241 V CA -0.393 61.917 62.300 0.018 0.000 0.893 241 V CB 1.627 33.469 31.823 0.032 0.000 0.999 241 V HN 0.875 nan 8.190 nan 0.000 0.426 242 A N 6.438 129.312 122.820 0.090 0.000 2.330 242 A HA 0.863 5.182 4.320 -0.000 0.000 0.313 242 A C -1.359 176.352 177.584 0.212 0.000 1.124 242 A CA -0.449 51.662 52.037 0.123 0.000 0.774 242 A CB 1.051 20.136 19.000 0.141 0.000 1.198 242 A HN 1.197 nan 8.150 nan 0.000 0.465 243 F N 1.896 121.877 119.950 0.052 0.000 2.551 243 F HA 0.732 5.259 4.527 -0.000 0.000 0.316 243 F C -0.417 175.426 175.800 0.072 0.000 1.089 243 F CA -0.043 57.991 58.000 0.056 0.000 0.915 243 F CB 2.373 41.395 39.000 0.037 0.000 1.186 243 F HN 0.423 nan 8.300 nan 0.000 0.456 244 T N 4.331 118.357 114.554 -0.880 0.000 2.879 244 T HA 0.787 5.137 4.350 -0.000 0.000 0.290 244 T C -0.204 173.802 174.700 -1.157 0.000 0.993 244 T CA -0.200 61.495 62.100 -0.676 0.000 0.975 244 T CB 1.226 69.955 68.868 -0.231 0.000 0.981 244 T HN 1.140 nan 8.240 nan 0.000 0.439 245 G N 1.939 110.283 108.800 -0.760 0.000 2.452 245 G HA2 0.423 4.383 3.960 -0.000 0.000 0.224 245 G HA3 0.423 4.383 3.960 -0.000 0.000 0.224 245 G C -0.576 174.320 174.900 -0.007 0.000 1.208 245 G CA -0.210 44.635 45.100 -0.425 0.000 0.946 245 G HN 0.970 nan 8.290 nan 0.000 0.481 246 S N -0.335 115.468 115.700 0.173 0.000 2.585 246 S HA 0.445 4.915 4.470 -0.000 0.000 0.273 246 S C 1.309 176.053 174.600 0.240 0.000 1.339 246 S CA 1.047 59.337 58.200 0.150 0.000 1.028 246 S CB 1.341 64.615 63.200 0.122 0.000 0.906 246 S HN 0.825 nan 8.310 nan 0.000 0.528 247 T N 1.201 115.864 114.554 0.181 0.000 2.788 247 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 247 T C 1.630 176.382 174.700 0.086 0.000 1.044 247 T CA 1.651 63.846 62.100 0.158 0.000 1.139 247 T CB -0.471 68.492 68.868 0.157 0.000 0.867 247 T HN 0.864 nan 8.240 nan 0.000 0.454 248 E N 0.610 120.854 120.200 0.074 0.000 2.058 248 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 248 E C 1.893 178.484 176.600 -0.016 0.000 0.997 248 E CA 1.103 57.520 56.400 0.029 0.000 0.801 248 E CB -0.040 29.684 29.700 0.040 0.000 0.746 248 E HN 0.295 nan 8.360 nan 0.000 0.450 249 I N 0.995 121.558 120.570 -0.010 0.000 2.761 249 I HA -0.057 4.113 4.170 -0.000 0.000 0.261 249 I C 2.479 178.333 176.117 -0.437 0.000 1.198 249 I CA 1.111 62.306 61.300 -0.175 0.000 1.482 249 I CB -1.567 36.378 38.000 -0.093 0.000 1.100 249 I HN 0.223 nan 8.210 nan 0.000 0.445 250 G N 1.032 109.686 108.800 -0.244 0.000 2.422 250 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 250 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 250 G C 1.919 176.720 174.900 -0.165 0.000 1.146 250 G CA 0.337 45.309 45.100 -0.213 0.000 0.769 250 G HN 0.302 nan 8.290 nan 0.000 0.547 251 R N -0.303 120.135 120.500 -0.103 0.000 2.073 251 R HA -0.013 4.327 4.340 -0.000 0.000 0.234 251 R C 2.695 178.930 176.300 -0.107 0.000 1.134 251 R CA 1.178 57.229 56.100 -0.081 0.000 0.952 251 R CB -0.654 29.614 30.300 -0.054 0.000 0.850 251 R HN 0.268 nan 8.270 nan 0.000 0.433 252 V N 1.588 121.422 119.914 -0.134 0.000 2.332 252 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 252 V C 2.319 178.321 176.094 -0.153 0.000 1.055 252 V CA 1.565 63.786 62.300 -0.130 0.000 1.038 252 V CB -0.450 31.293 31.823 -0.134 0.000 0.651 252 V HN 0.275 nan 8.190 nan 0.000 0.450 253 I N -0.158 120.267 120.570 -0.241 0.000 2.142 253 I HA -0.287 3.883 4.170 -0.000 0.000 0.240 253 I C 2.563 178.606 176.117 -0.124 0.000 1.078 253 I CA 2.051 63.218 61.300 -0.221 0.000 1.343 253 I CB -1.219 36.566 38.000 -0.358 0.000 1.046 253 I HN 0.438 nan 8.210 nan 0.000 0.405 254 Q N 0.654 120.388 119.800 -0.110 0.000 2.124 254 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 254 Q C 2.259 178.224 176.000 -0.058 0.000 0.977 254 Q CA 1.698 57.461 55.803 -0.068 0.000 0.850 254 Q CB 0.087 28.792 28.738 -0.055 0.000 0.901 254 Q HN 0.317 nan 8.270 nan 0.000 0.429 255 V N 0.578 120.453 119.914 -0.064 0.000 2.358 255 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 255 V C 2.283 178.349 176.094 -0.047 0.000 1.047 255 V CA 1.648 63.917 62.300 -0.051 0.000 1.035 255 V CB -0.972 30.821 31.823 -0.051 0.000 0.658 255 V HN 0.541 nan 8.190 nan 0.000 0.452 256 A N 0.012 122.799 122.820 -0.054 0.000 1.933 256 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 256 A C 2.417 179.981 177.584 -0.033 0.000 1.175 256 A CA 1.997 54.008 52.037 -0.043 0.000 0.628 256 A CB -0.701 18.271 19.000 -0.047 0.000 0.814 256 A HN 0.552 nan 8.150 nan 0.000 0.444 257 A N -0.470 122.328 122.820 -0.036 0.000 1.902 257 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 257 A C 2.407 179.975 177.584 -0.026 0.000 1.181 257 A CA 1.896 53.917 52.037 -0.027 0.000 0.623 257 A CB -1.351 17.630 19.000 -0.031 0.000 0.818 257 A HN 0.715 nan 8.150 nan 0.000 0.443 258 G N -0.976 107.806 108.800 -0.031 0.000 2.408 258 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.217 258 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.217 258 G C 1.685 176.569 174.900 -0.026 0.000 1.150 258 G CA 1.230 46.313 45.100 -0.028 0.000 0.776 258 G HN 0.497 nan 8.290 nan 0.000 0.542 259 S N 0.310 115.994 115.700 -0.027 0.000 2.489 259 S HA 0.016 4.486 4.470 -0.000 0.000 0.228 259 S C 2.312 176.898 174.600 -0.024 0.000 0.995 259 S CA 1.001 59.185 58.200 -0.025 0.000 0.934 259 S CB 0.025 63.208 63.200 -0.027 0.000 0.771 259 S HN 0.638 nan 8.310 nan 0.000 0.522 260 S N 3.304 118.992 115.700 -0.022 0.000 3.171 260 S HA 0.098 4.568 4.470 -0.000 0.000 0.170 260 S C 1.002 175.593 174.600 -0.014 0.000 0.773 260 S CA 0.174 58.363 58.200 -0.019 0.000 1.114 260 S CB -0.558 62.633 63.200 -0.015 0.000 0.657 260 S HN 0.473 nan 8.310 nan 0.000 0.624 261 N N 1.328 120.024 118.700 -0.007 0.000 2.238 261 N HA 0.245 4.985 4.740 -0.000 0.000 0.222 261 N C 0.130 175.636 175.510 -0.007 0.000 1.133 261 N CA -0.087 52.962 53.050 -0.003 0.000 0.854 261 N CB -0.561 37.932 38.487 0.010 0.000 1.041 261 N HN 0.645 nan 8.380 nan 0.000 0.510 262 L N -0.355 120.860 121.223 -0.013 0.000 3.717 262 L HA -0.286 4.054 4.340 -0.000 0.000 0.411 262 L C -0.076 176.781 176.870 -0.021 0.000 1.233 262 L CA 0.551 55.380 54.840 -0.019 0.000 0.917 262 L CB -1.759 40.289 42.059 -0.019 0.000 1.902 262 L HN 0.440 nan 8.230 nan 0.000 0.894 263 K N -0.216 120.174 120.400 -0.018 0.000 2.380 263 K HA 0.425 4.744 4.320 -0.000 0.000 0.267 263 K C 0.376 176.954 176.600 -0.037 0.000 0.990 263 K CA -0.624 55.649 56.287 -0.024 0.000 0.946 263 K CB 0.469 32.960 32.500 -0.015 0.000 0.937 263 K HN 0.009 nan 8.250 nan 0.000 0.491 264 R N 0.804 121.273 120.500 -0.052 0.000 2.594 264 R HA 0.267 4.607 4.340 -0.000 0.000 0.272 264 R C -0.631 175.628 176.300 -0.068 0.000 1.074 264 R CA -0.363 55.697 56.100 -0.067 0.000 1.105 264 R CB 0.957 31.202 30.300 -0.091 0.000 1.008 264 R HN 0.451 nan 8.270 nan 0.000 0.472 265 V N 1.340 121.217 119.914 -0.062 0.000 2.760 265 V HA 0.572 4.692 4.120 -0.000 0.000 0.309 265 V C -0.529 175.541 176.094 -0.041 0.000 1.077 265 V CA -0.821 61.454 62.300 -0.043 0.000 0.910 265 V CB 2.221 34.028 31.823 -0.027 0.000 1.008 265 V HN 0.994 nan 8.190 nan 0.000 0.424 266 T N 2.556 117.099 114.554 -0.019 0.000 2.893 266 T HA 0.889 5.239 4.350 -0.000 0.000 0.293 266 T C -1.063 173.684 174.700 0.077 0.000 1.027 266 T CA -0.723 61.377 62.100 -0.000 0.000 0.988 266 T CB 1.786 70.632 68.868 -0.037 0.000 1.043 266 T HN 0.408 nan 8.240 nan 0.000 0.461 267 L N 1.336 122.613 121.223 0.091 0.000 2.422 267 L HA 0.677 5.017 4.340 -0.000 0.000 0.264 267 L C -0.522 176.428 176.870 0.134 0.000 0.984 267 L CA -0.859 54.082 54.840 0.169 0.000 0.819 267 L CB 2.449 44.614 42.059 0.176 0.000 1.330 267 L HN 0.675 nan 8.230 nan 0.000 0.410 268 E N 3.808 124.096 120.200 0.147 0.000 2.235 268 E HA 0.508 4.858 4.350 -0.000 0.000 0.252 268 E C -1.432 175.235 176.600 0.112 0.000 0.886 268 E CA -0.256 56.219 56.400 0.125 0.000 0.767 268 E CB 1.460 31.268 29.700 0.180 0.000 1.205 268 E HN 0.528 nan 8.360 nan 0.000 0.421 269 L N 1.357 122.660 121.223 0.134 0.000 2.693 269 L HA 0.677 5.017 4.340 -0.000 0.000 0.253 269 L C 1.339 178.274 176.870 0.109 0.000 1.155 269 L CA -0.949 53.978 54.840 0.145 0.000 1.026 269 L CB 0.194 42.377 42.059 0.206 0.000 1.817 269 L HN 0.456 nan 8.230 nan 0.000 0.556 270 G N -1.674 107.179 108.800 0.088 0.000 2.531 270 G HA2 0.598 4.558 3.960 -0.000 0.000 0.253 270 G HA3 0.598 4.558 3.960 -0.000 0.000 0.253 270 G C -0.531 174.211 174.900 -0.264 0.000 1.439 270 G CA 0.119 45.179 45.100 -0.068 0.000 1.056 270 G HN 0.848 nan 8.290 nan 0.000 0.555 271 G N -2.134 106.264 108.800 -0.670 0.000 2.488 271 G HA2 0.480 4.440 3.960 -0.000 0.000 0.301 271 G HA3 0.480 4.440 3.960 -0.000 0.000 0.301 271 G C -1.529 172.921 174.900 -0.750 0.000 1.339 271 G CA -0.439 44.157 45.100 -0.841 0.000 0.803 271 G HN 0.618 nan 8.290 nan 0.000 0.482 272 K N 0.551 120.770 120.400 -0.301 0.000 3.262 272 K HA 0.447 4.767 4.320 -0.000 0.000 0.166 272 K C -0.188 176.455 176.600 0.072 0.000 1.091 272 K CA -0.320 55.932 56.287 -0.059 0.000 0.798 272 K CB 0.227 32.788 32.500 0.101 0.000 0.953 272 K HN 0.461 nan 8.250 nan 0.000 0.588 273 S N 3.698 119.457 115.700 0.098 0.000 2.525 273 S HA 0.155 4.624 4.470 -0.000 0.000 0.285 273 S C -2.315 172.424 174.600 0.230 0.000 1.283 273 S CA -0.567 57.746 58.200 0.189 0.000 1.072 273 S CB 0.294 63.670 63.200 0.293 0.000 0.867 273 S HN 0.378 nan 8.310 nan 0.000 0.492 274 P HA 0.234 nan 4.420 nan 0.000 0.286 274 P C -0.939 176.578 177.300 0.361 0.000 1.269 274 P CA -0.648 62.657 63.100 0.342 0.000 0.787 274 P CB 0.603 32.528 31.700 0.376 0.000 0.920 275 N N 3.840 122.745 118.700 0.341 0.000 2.511 275 N HA 0.302 5.042 4.740 -0.000 0.000 0.249 275 N C -0.933 174.766 175.510 0.315 0.000 0.971 275 N CA -0.667 52.596 53.050 0.357 0.000 0.938 275 N CB -0.005 38.589 38.487 0.179 0.000 1.131 275 N HN 0.266 nan 8.380 nan 0.000 0.505 276 I N 4.302 125.069 120.570 0.329 0.000 2.304 276 I HA 0.315 4.485 4.170 -0.000 0.000 0.291 276 I C -0.120 176.189 176.117 0.319 0.000 1.018 276 I CA -0.656 60.800 61.300 0.259 0.000 1.260 276 I CB 0.948 38.992 38.000 0.073 0.000 1.390 276 I HN 0.287 nan 8.210 nan 0.000 0.475 277 I N 6.976 127.711 120.570 0.276 0.000 2.330 277 I HA 0.325 4.495 4.170 -0.000 0.000 0.286 277 I C 0.169 176.461 176.117 0.291 0.000 1.025 277 I CA -0.553 60.875 61.300 0.213 0.000 1.197 277 I CB 0.861 38.778 38.000 -0.139 0.000 1.358 277 I HN 0.472 nan 8.210 nan 0.000 0.467 278 M N 3.782 123.565 119.600 0.305 0.000 2.228 278 M HA 0.137 4.617 4.480 -0.000 0.000 0.326 278 M C 1.689 178.079 176.300 0.150 0.000 1.122 278 M CA -0.037 55.420 55.300 0.262 0.000 1.161 278 M CB 0.725 33.464 32.600 0.232 0.000 1.437 278 M HN 0.681 nan 8.290 nan 0.000 0.465 279 S N 0.326 116.074 115.700 0.079 0.000 2.442 279 S HA -0.147 4.323 4.470 -0.000 0.000 0.236 279 S C 0.824 175.474 174.600 0.083 0.000 1.007 279 S CA 1.337 59.568 58.200 0.052 0.000 0.965 279 S CB -0.478 62.726 63.200 0.006 0.000 0.773 279 S HN 0.744 nan 8.310 nan 0.000 0.504 280 D N 1.583 122.043 120.400 0.100 0.000 2.325 280 D HA 0.360 5.000 4.640 -0.000 0.000 0.225 280 D C 0.592 176.974 176.300 0.137 0.000 1.096 280 D CA 0.133 54.194 54.000 0.101 0.000 0.844 280 D CB -0.278 40.571 40.800 0.082 0.000 0.925 280 D HN 0.515 nan 8.370 nan 0.000 0.513 281 A N 0.465 123.393 122.820 0.181 0.000 2.346 281 A HA 0.168 4.488 4.320 -0.000 0.000 0.252 281 A C 0.294 178.022 177.584 0.240 0.000 1.089 281 A CA -0.395 51.794 52.037 0.253 0.000 0.797 281 A CB 0.256 19.460 19.000 0.339 0.000 1.047 281 A HN 0.172 nan 8.150 nan 0.000 0.494 282 D N 1.728 122.304 120.400 0.293 0.000 2.338 282 D HA 0.109 4.748 4.640 -0.000 0.000 0.255 282 D C 1.057 177.533 176.300 0.293 0.000 1.237 282 D CA -0.259 53.898 54.000 0.261 0.000 0.883 282 D CB 0.567 41.533 40.800 0.278 0.000 1.087 282 D HN 0.445 nan 8.370 nan 0.000 0.485 283 M N 4.270 123.998 119.600 0.214 0.000 2.082 283 M HA -0.219 4.260 4.480 -0.000 0.000 0.258 283 M C 1.113 177.507 176.300 0.156 0.000 1.071 283 M CA 1.800 57.215 55.300 0.192 0.000 1.103 283 M CB -0.436 32.245 32.600 0.135 0.000 1.307 283 M HN 0.324 nan 8.290 nan 0.000 0.409 284 D N -0.996 119.488 120.400 0.141 0.000 2.123 284 D HA -0.251 4.388 4.640 -0.000 0.000 0.196 284 D C 1.871 178.284 176.300 0.189 0.000 0.992 284 D CA 1.508 55.577 54.000 0.116 0.000 0.833 284 D CB -0.735 40.134 40.800 0.115 0.000 0.954 284 D HN 0.675 nan 8.370 nan 0.000 0.455 285 W N 1.576 122.917 121.300 0.069 0.000 2.379 285 W HA -0.131 4.529 4.660 -0.000 0.000 0.307 285 W C 2.163 178.746 176.519 0.107 0.000 1.200 285 W CA 1.434 58.843 57.345 0.108 0.000 1.297 285 W CB -0.029 29.531 29.460 0.166 0.000 1.140 285 W HN -0.027 nan 8.180 nan 0.000 0.507 286 A N 0.419 123.329 122.820 0.149 0.000 1.902 286 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 286 A C 2.035 179.524 177.584 -0.159 0.000 1.181 286 A CA 2.136 54.066 52.037 -0.178 0.000 0.623 286 A CB -1.150 17.907 19.000 0.096 0.000 0.818 286 A HN 0.153 nan 8.150 nan 0.000 0.443 287 V N -0.069 119.787 119.914 -0.098 0.000 2.295 287 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 287 V C 2.642 178.602 176.094 -0.224 0.000 1.049 287 V CA 2.453 64.545 62.300 -0.346 0.000 1.024 287 V CB -0.673 30.893 31.823 -0.430 0.000 0.648 287 V HN 0.692 nan 8.190 nan 0.000 0.447 288 E N -0.100 119.988 120.200 -0.186 0.000 2.077 288 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 288 E C 2.280 178.784 176.600 -0.159 0.000 0.989 288 E CA 1.320 57.630 56.400 -0.149 0.000 0.800 288 E CB -0.255 29.363 29.700 -0.137 0.000 0.746 288 E HN 0.497 nan 8.360 nan 0.000 0.452 289 Q N -0.335 119.232 119.800 -0.387 0.000 2.119 289 Q HA -0.028 4.312 4.340 -0.000 0.000 0.201 289 Q C 2.120 178.006 176.000 -0.191 0.000 0.972 289 Q CA 1.393 56.977 55.803 -0.365 0.000 0.847 289 Q CB -0.428 27.980 28.738 -0.550 0.000 0.903 289 Q HN 0.383 nan 8.270 nan 0.000 0.433 290 A N 0.051 122.734 122.820 -0.228 0.000 1.969 290 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 290 A C 1.903 179.470 177.584 -0.029 0.000 1.169 290 A CA 1.812 53.770 52.037 -0.131 0.000 0.635 290 A CB -0.684 18.381 19.000 0.108 0.000 0.810 290 A HN 0.465 nan 8.150 nan 0.000 0.445 291 H N -1.644 117.420 119.070 -0.011 0.000 2.299 291 H HA -0.127 4.429 4.556 -0.000 0.000 0.302 291 H C 1.714 177.178 175.328 0.226 0.000 1.078 291 H CA 2.172 58.321 56.048 0.169 0.000 1.323 291 H CB -0.411 29.402 29.762 0.085 0.000 1.381 291 H HN 0.439 nan 8.280 nan 0.000 0.498 292 F N 0.914 120.899 119.950 0.058 0.000 2.095 292 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 292 F C 2.547 178.310 175.800 -0.063 0.000 1.104 292 F CA 1.620 59.634 58.000 0.023 0.000 1.232 292 F CB -0.814 38.167 39.000 -0.033 0.000 0.987 292 F HN 0.299 nan 8.300 nan 0.000 0.475 293 A N 0.545 123.300 122.820 -0.110 0.000 1.958 293 A HA -0.211 4.108 4.320 -0.000 0.000 0.221 293 A C 2.238 179.562 177.584 -0.434 0.000 1.178 293 A CA 2.013 53.746 52.037 -0.506 0.000 0.642 293 A CB -1.010 17.302 19.000 -1.147 0.000 0.816 293 A HN 0.551 nan 8.150 nan 0.000 0.453 294 L N -2.228 118.746 121.223 -0.414 0.000 2.189 294 L HA 0.184 4.524 4.340 -0.000 0.000 0.199 294 L C 2.101 178.622 176.870 -0.581 0.000 1.074 294 L CA 1.532 56.060 54.840 -0.520 0.000 0.783 294 L CB -0.868 40.771 42.059 -0.700 0.000 0.955 294 L HN 0.418 nan 8.230 nan 0.000 0.460 295 F N -0.430 119.318 119.950 -0.337 0.000 2.558 295 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 295 F C 1.176 176.809 175.800 -0.278 0.000 1.119 295 F CA -0.123 57.680 58.000 -0.329 0.000 1.451 295 F CB -0.462 38.246 39.000 -0.486 0.000 1.091 295 F HN -0.068 nan 8.300 nan 0.000 0.563 296 F N 2.253 121.980 119.950 -0.373 0.000 2.629 296 F HA -0.074 4.453 4.527 -0.000 0.000 0.377 296 F C 1.213 176.854 175.800 -0.265 0.000 1.101 296 F CA -0.069 57.663 58.000 -0.447 0.000 1.301 296 F CB 0.106 38.567 39.000 -0.898 0.000 1.062 296 F HN 0.116 nan 8.300 nan 0.000 0.583 297 N N 3.547 121.573 118.700 -1.124 0.000 2.725 297 N HA -0.303 4.437 4.740 -0.000 0.000 0.251 297 N C -0.059 175.145 175.510 -0.511 0.000 1.031 297 N CA 1.363 53.851 53.050 -0.936 0.000 0.720 297 N CB -1.009 36.785 38.487 -1.155 0.000 0.930 297 N HN 0.776 nan 8.380 nan 0.000 0.543 298 Q N -2.035 117.577 119.800 -0.314 0.000 2.480 298 Q HA -0.176 4.164 4.340 -0.000 0.000 0.265 298 Q C 1.233 177.121 176.000 -0.186 0.000 1.072 298 Q CA 2.215 57.917 55.803 -0.169 0.000 1.018 298 Q CB -1.841 26.808 28.738 -0.149 0.000 1.433 298 Q HN 1.225 nan 8.270 nan 0.000 0.513 299 G N -1.090 107.557 108.800 -0.255 0.000 2.189 299 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.267 299 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.267 299 G C 0.158 174.756 174.900 -0.504 0.000 0.975 299 G CA 0.453 45.368 45.100 -0.309 0.000 0.644 299 G HN 0.467 nan 8.290 nan 0.000 0.537 300 Q N 0.048 119.475 119.800 -0.622 0.000 3.247 300 Q HA 0.464 4.804 4.340 -0.000 0.000 0.326 300 Q C -0.141 175.265 176.000 -0.990 0.000 1.402 300 Q CA -0.121 54.983 55.803 -1.165 0.000 0.994 300 Q CB 0.249 28.658 28.738 -0.548 0.000 1.647 300 Q HN 0.424 nan 8.270 nan 0.000 0.523 301 C N -0.390 118.489 119.300 -0.700 0.000 2.441 301 C HA 0.197 4.657 4.460 -0.000 0.000 0.318 301 C C 2.010 177.114 174.990 0.191 0.000 1.222 301 C CA -1.191 57.809 59.018 -0.030 0.000 1.474 301 C CB 0.445 28.295 27.740 0.182 0.000 2.125 301 C HN 0.910 nan 8.230 nan 0.000 0.479 302 C N 0.269 119.814 119.300 0.407 0.000 2.403 302 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 302 C C 2.055 177.273 174.990 0.379 0.000 1.248 302 C CA 1.566 60.853 59.018 0.450 0.000 1.762 302 C CB -2.141 25.843 27.740 0.405 0.000 2.014 302 C HN 0.943 nan 8.230 nan 0.000 0.486 303 C N 1.489 121.077 119.300 0.479 0.000 2.525 303 C HA 0.723 5.183 4.460 -0.000 0.000 0.313 303 C C 1.359 176.661 174.990 0.519 0.000 1.311 303 C CA -0.902 58.434 59.018 0.530 0.000 1.725 303 C CB -2.580 25.645 27.740 0.808 0.000 1.926 303 C HN 0.769 nan 8.230 nan 0.000 0.595 304 A N 1.119 124.133 122.820 0.324 0.000 2.565 304 A HA 0.442 4.762 4.320 -0.000 0.000 0.237 304 A C 1.146 178.825 177.584 0.159 0.000 1.053 304 A CA 0.824 52.969 52.037 0.181 0.000 0.755 304 A CB -0.110 18.885 19.000 -0.007 0.000 0.980 304 A HN 1.139 nan 8.150 nan 0.000 0.506 305 G N 1.769 110.551 108.800 -0.029 0.000 3.008 305 G HA2 0.328 4.288 3.960 -0.000 0.000 0.272 305 G HA3 0.328 4.288 3.960 -0.000 0.000 0.272 305 G C 0.930 175.757 174.900 -0.121 0.000 0.764 305 G CA 0.378 45.424 45.100 -0.090 0.000 2.029 305 G HN 1.181 nan 8.290 nan 0.000 0.587 306 S N 0.796 116.464 115.700 -0.052 0.000 2.603 306 S HA 0.146 4.615 4.470 -0.000 0.000 0.220 306 S C 1.006 175.552 174.600 -0.090 0.000 0.967 306 S CA -0.168 57.975 58.200 -0.095 0.000 0.920 306 S CB 0.380 63.533 63.200 -0.077 0.000 0.773 306 S HN 0.410 nan 8.310 nan 0.000 0.529 307 R N 1.744 122.203 120.500 -0.069 0.000 2.487 307 R HA 0.280 4.620 4.340 -0.000 0.000 0.288 307 R C -1.222 174.965 176.300 -0.188 0.000 1.394 307 R CA -0.096 55.895 56.100 -0.182 0.000 1.155 307 R CB 1.283 31.502 30.300 -0.135 0.000 1.156 307 R HN 0.140 nan 8.270 nan 0.000 0.553 308 T N 3.928 118.369 114.554 -0.189 0.000 2.863 308 T HA 0.241 4.591 4.350 -0.000 0.000 0.299 308 T C -0.100 174.529 174.700 -0.118 0.000 0.973 308 T CA -0.021 62.024 62.100 -0.092 0.000 0.994 308 T CB -0.230 68.622 68.868 -0.027 0.000 0.961 308 T HN 0.183 nan 8.240 nan 0.000 0.552 309 F N 2.608 122.591 119.950 0.055 0.000 2.445 309 F HA 0.402 4.929 4.527 -0.000 0.000 0.359 309 F C 0.399 176.346 175.800 0.246 0.000 1.101 309 F CA -0.644 57.450 58.000 0.156 0.000 1.177 309 F CB 0.764 39.767 39.000 0.005 0.000 1.110 309 F HN 0.178 nan 8.300 nan 0.000 0.522 310 V N 4.016 124.194 119.914 0.440 0.000 2.487 310 V HA 0.234 4.354 4.120 -0.000 0.000 0.298 310 V C -0.078 176.020 176.094 0.006 0.000 1.028 310 V CA -1.116 61.273 62.300 0.148 0.000 0.860 310 V CB 1.522 33.232 31.823 -0.188 0.000 0.991 310 V HN 0.551 nan 8.190 nan 0.000 0.427 311 Q N 3.211 122.801 119.800 -0.350 0.000 2.315 311 Q HA -0.004 4.336 4.340 -0.000 0.000 0.289 311 Q C 1.489 177.304 176.000 -0.308 0.000 1.044 311 Q CA 0.420 55.730 55.803 -0.822 0.000 0.920 311 Q CB 1.051 29.454 28.738 -0.559 0.000 1.214 311 Q HN 1.025 nan 8.270 nan 0.000 0.392 312 E N 2.930 122.946 120.200 -0.307 0.000 2.147 312 E HA -0.275 4.075 4.350 -0.000 0.000 0.199 312 E C 0.224 176.812 176.600 -0.021 0.000 1.005 312 E CA 1.754 58.085 56.400 -0.114 0.000 0.810 312 E CB 0.045 29.665 29.700 -0.135 0.000 0.736 312 E HN 0.554 nan 8.360 nan 0.000 0.460 313 D N 1.146 121.516 120.400 -0.049 0.000 2.218 313 D HA -0.097 4.543 4.640 -0.000 0.000 0.204 313 D C 2.013 178.338 176.300 0.041 0.000 0.976 313 D CA 1.453 55.452 54.000 -0.002 0.000 0.853 313 D CB -0.058 40.733 40.800 -0.014 0.000 0.939 313 D HN 0.641 nan 8.370 nan 0.000 0.481 314 I N -3.632 116.970 120.570 0.053 0.000 4.154 314 I HA 0.182 4.352 4.170 -0.000 0.000 0.334 314 I C 1.783 177.988 176.117 0.146 0.000 1.371 314 I CA -0.581 60.776 61.300 0.095 0.000 1.110 314 I CB -0.077 37.978 38.000 0.092 0.000 1.085 314 I HN -0.256 nan 8.210 nan 0.000 0.398 315 Y N 2.942 123.257 120.300 0.025 0.000 2.053 315 Y HA -0.309 4.241 4.550 -0.000 0.000 0.277 315 Y C 2.132 178.105 175.900 0.122 0.000 1.159 315 Y CA 2.365 60.500 58.100 0.058 0.000 1.125 315 Y CB -0.122 38.346 38.460 0.014 0.000 0.969 315 Y HN 0.214 nan 8.280 nan 0.000 0.492 316 D N 0.064 120.600 120.400 0.227 0.000 2.106 316 D HA -0.244 4.396 4.640 -0.000 0.000 0.191 316 D C 2.091 178.411 176.300 0.032 0.000 0.997 316 D CA 1.864 55.938 54.000 0.124 0.000 0.834 316 D CB -0.534 40.354 40.800 0.146 0.000 0.956 316 D HN 0.622 nan 8.370 nan 0.000 0.448 317 E N -0.458 119.778 120.200 0.059 0.000 2.077 317 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 317 E C 2.114 178.722 176.600 0.014 0.000 0.989 317 E CA 0.475 56.896 56.400 0.035 0.000 0.800 317 E CB -0.201 29.532 29.700 0.054 0.000 0.746 317 E HN 0.205 nan 8.360 nan 0.000 0.452 318 F N 0.736 120.631 119.950 -0.093 0.000 2.102 318 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 318 F C 2.120 177.822 175.800 -0.162 0.000 1.105 318 F CA 1.391 59.322 58.000 -0.116 0.000 1.239 318 F CB -0.285 38.642 39.000 -0.121 0.000 0.991 318 F HN -0.123 nan 8.300 nan 0.000 0.474 319 V N 0.592 120.474 119.914 -0.054 0.000 2.287 319 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 319 V C 2.230 178.242 176.094 -0.136 0.000 1.053 319 V CA 2.400 64.611 62.300 -0.147 0.000 1.027 319 V CB -0.741 30.906 31.823 -0.293 0.000 0.646 319 V HN 0.377 nan 8.190 nan 0.000 0.447 320 E N -0.195 119.940 120.200 -0.107 0.000 2.058 320 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 320 E C 2.467 178.990 176.600 -0.130 0.000 0.997 320 E CA 1.431 57.778 56.400 -0.088 0.000 0.801 320 E CB -0.227 29.440 29.700 -0.055 0.000 0.746 320 E HN 0.537 nan 8.360 nan 0.000 0.450 321 R N 0.374 120.765 120.500 -0.182 0.000 2.096 321 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 321 R C 2.554 178.691 176.300 -0.271 0.000 1.127 321 R CA 1.220 57.187 56.100 -0.222 0.000 0.968 321 R CB -0.125 30.022 30.300 -0.255 0.000 0.861 321 R HN 0.012 nan 8.270 nan 0.000 0.440 322 S N 0.301 115.794 115.700 -0.346 0.000 2.368 322 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 322 S C 2.098 176.624 174.600 -0.123 0.000 1.029 322 S CA 1.093 59.133 58.200 -0.266 0.000 0.988 322 S CB -0.073 62.965 63.200 -0.269 0.000 0.838 322 S HN 0.066 nan 8.310 nan 0.000 0.462 323 V N 2.102 121.950 119.914 -0.110 0.000 2.295 323 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 323 V C 2.667 178.701 176.094 -0.099 0.000 1.049 323 V CA 1.683 63.937 62.300 -0.077 0.000 1.024 323 V CB -1.234 30.551 31.823 -0.063 0.000 0.648 323 V HN 0.533 nan 8.190 nan 0.000 0.447 324 A N 0.352 123.102 122.820 -0.117 0.000 1.908 324 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 324 A C 2.310 179.799 177.584 -0.159 0.000 1.181 324 A CA 2.326 54.291 52.037 -0.121 0.000 0.627 324 A CB -0.537 18.394 19.000 -0.115 0.000 0.818 324 A HN 0.461 nan 8.150 nan 0.000 0.445 325 R N 0.124 120.499 120.500 -0.208 0.000 2.075 325 R HA 0.030 4.370 4.340 -0.000 0.000 0.232 325 R C 2.165 178.260 176.300 -0.341 0.000 1.126 325 R CA 1.929 57.831 56.100 -0.329 0.000 0.963 325 R CB -0.992 29.042 30.300 -0.443 0.000 0.858 325 R HN 0.378 nan 8.270 nan 0.000 0.435 326 A N 0.744 123.443 122.820 -0.201 0.000 1.933 326 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 326 A C 1.996 179.469 177.584 -0.185 0.000 1.175 326 A CA 1.699 53.619 52.037 -0.196 0.000 0.628 326 A CB -0.423 18.507 19.000 -0.116 0.000 0.814 326 A HN 0.383 nan 8.150 nan 0.000 0.444 327 K N 0.253 120.570 120.400 -0.140 0.000 2.211 327 K HA -0.083 4.237 4.320 -0.000 0.000 0.203 327 K C 1.926 178.459 176.600 -0.112 0.000 1.050 327 K CA 1.443 57.663 56.287 -0.111 0.000 0.945 327 K CB -0.104 32.342 32.500 -0.089 0.000 0.732 327 K HN 0.664 nan 8.250 nan 0.000 0.451 328 S N 0.358 115.978 115.700 -0.135 0.000 2.575 328 S HA 0.037 4.507 4.470 -0.000 0.000 0.215 328 S C 0.707 175.236 174.600 -0.118 0.000 0.966 328 S CA -0.414 57.715 58.200 -0.119 0.000 0.911 328 S CB 0.003 63.130 63.200 -0.120 0.000 0.780 328 S HN 0.131 nan 8.310 nan 0.000 0.514 329 R N 2.021 122.437 120.500 -0.140 0.000 2.421 329 R HA 0.234 4.574 4.340 -0.000 0.000 0.305 329 R C -0.955 175.303 176.300 -0.071 0.000 1.039 329 R CA -0.146 55.891 56.100 -0.105 0.000 1.003 329 R CB 0.267 30.488 30.300 -0.131 0.000 0.959 329 R HN 0.153 nan 8.270 nan 0.000 0.427 330 V N 6.421 126.310 119.914 -0.042 0.000 2.439 330 V HA 0.072 4.192 4.120 -0.000 0.000 0.271 330 V C 0.146 176.231 176.094 -0.016 0.000 1.040 330 V CA -0.160 62.120 62.300 -0.032 0.000 1.002 330 V CB 1.102 32.912 31.823 -0.022 0.000 1.000 330 V HN 0.470 nan 8.190 nan 0.000 0.477 331 V N 5.146 125.045 119.914 -0.025 0.000 2.435 331 V HA 0.986 5.106 4.120 -0.000 0.000 0.290 331 V C 0.662 176.704 176.094 -0.087 0.000 1.030 331 V CA 0.533 62.836 62.300 0.005 0.000 0.881 331 V CB 1.011 32.855 31.823 0.034 0.000 0.983 331 V HN 1.118 nan 8.190 nan 0.000 0.445 332 G N 3.422 112.173 108.800 -0.081 0.000 2.335 332 G HA2 0.134 4.094 3.960 -0.000 0.000 0.291 332 G HA3 0.134 4.094 3.960 -0.000 0.000 0.291 332 G C -0.995 173.859 174.900 -0.076 0.000 1.261 332 G CA -0.858 44.094 45.100 -0.246 0.000 0.871 332 G HN 0.574 nan 8.290 nan 0.000 0.491 333 N N 2.009 120.662 118.700 -0.077 0.000 2.374 333 N HA 0.113 4.852 4.740 -0.000 0.000 0.269 333 N C -0.644 174.910 175.510 0.072 0.000 1.310 333 N CA -1.021 52.063 53.050 0.057 0.000 0.877 333 N CB 1.381 39.899 38.487 0.051 0.000 1.096 333 N HN 0.158 nan 8.380 nan 0.000 0.484 334 P HA -0.139 nan 4.420 nan 0.000 0.223 334 P C 0.877 178.092 177.300 -0.142 0.000 1.144 334 P CA 1.199 64.245 63.100 -0.090 0.000 0.783 334 P CB -0.052 31.518 31.700 -0.217 0.000 0.771 335 F N -0.040 119.940 119.950 0.050 0.000 2.710 335 F HA 0.057 4.584 4.527 -0.000 0.000 0.298 335 F C 0.831 176.636 175.800 0.010 0.000 1.137 335 F CA 0.041 58.048 58.000 0.011 0.000 1.444 335 F CB -0.165 38.794 39.000 -0.068 0.000 1.111 335 F HN -0.198 nan 8.300 nan 0.000 0.580 336 D N -0.196 120.300 120.400 0.161 0.000 2.277 336 D HA 0.049 4.689 4.640 -0.000 0.000 0.249 336 D C 1.303 177.658 176.300 0.092 0.000 1.134 336 D CA 0.124 54.183 54.000 0.098 0.000 0.863 336 D CB 1.516 42.348 40.800 0.052 0.000 1.143 336 D HN 0.036 nan 8.370 nan 0.000 0.458 337 S N 2.489 118.243 115.700 0.091 0.000 2.440 337 S HA -0.239 4.231 4.470 -0.000 0.000 0.240 337 S C 1.319 175.955 174.600 0.061 0.000 1.014 337 S CA 1.006 59.259 58.200 0.088 0.000 0.980 337 S CB -0.060 63.185 63.200 0.075 0.000 0.775 337 S HN 0.395 nan 8.310 nan 0.000 0.499 338 K N 0.903 121.328 120.400 0.042 0.000 2.418 338 K HA 0.124 4.444 4.320 -0.000 0.000 0.195 338 K C 0.059 176.674 176.600 0.025 0.000 1.035 338 K CA 0.335 56.638 56.287 0.027 0.000 1.003 338 K CB -0.043 32.463 32.500 0.010 0.000 0.793 338 K HN 0.276 nan 8.250 nan 0.000 0.494 339 T N 1.842 116.415 114.554 0.032 0.000 2.853 339 T HA 0.030 4.380 4.350 -0.000 0.000 0.298 339 T C 0.776 175.500 174.700 0.040 0.000 0.978 339 T CA 0.286 62.404 62.100 0.029 0.000 1.152 339 T CB 0.989 69.877 68.868 0.033 0.000 0.914 339 T HN 0.193 nan 8.240 nan 0.000 0.539 340 E N 1.884 122.107 120.200 0.037 0.000 2.251 340 E HA 0.053 4.403 4.350 -0.000 0.000 0.194 340 E C 0.793 177.417 176.600 0.041 0.000 0.964 340 E CA 0.178 56.611 56.400 0.054 0.000 0.868 340 E CB 0.584 30.320 29.700 0.060 0.000 0.828 340 E HN 0.551 nan 8.360 nan 0.000 0.481 341 Q N 0.388 120.211 119.800 0.038 0.000 2.304 341 Q HA 0.432 4.772 4.340 -0.000 0.000 0.270 341 Q C -0.587 175.474 176.000 0.101 0.000 1.035 341 Q CA -0.608 55.218 55.803 0.039 0.000 0.781 341 Q CB 1.817 30.583 28.738 0.046 0.000 1.261 341 Q HN 0.128 nan 8.270 nan 0.000 0.444 342 G N 3.073 111.905 108.800 0.054 0.000 2.543 342 G HA2 0.600 4.560 3.960 -0.000 0.000 0.267 342 G HA3 0.600 4.560 3.960 -0.000 0.000 0.267 342 G C -2.540 172.336 174.900 -0.039 0.000 1.406 342 G CA -0.977 44.189 45.100 0.110 0.000 1.048 342 G HN 0.566 nan 8.290 nan 0.000 0.548 343 P HA 0.231 nan 4.420 nan 0.000 0.278 343 P C -0.871 176.240 177.300 -0.315 0.000 1.266 343 P CA -0.439 62.172 63.100 -0.815 0.000 0.807 343 P CB 1.111 32.017 31.700 -1.323 0.000 1.094 344 Q N 0.002 119.703 119.800 -0.165 0.000 2.382 344 Q HA 0.067 4.407 4.340 -0.000 0.000 0.229 344 Q C 1.359 177.264 176.000 -0.157 0.000 1.006 344 Q CA -0.381 55.372 55.803 -0.083 0.000 0.916 344 Q CB 0.371 29.135 28.738 0.043 0.000 1.235 344 Q HN 0.202 nan 8.270 nan 0.000 0.512 345 V N 0.699 120.449 119.914 -0.273 0.000 2.332 345 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 345 V C 0.367 176.231 176.094 -0.383 0.000 1.055 345 V CA 2.730 64.793 62.300 -0.396 0.000 1.038 345 V CB -0.098 31.238 31.823 -0.812 0.000 0.651 345 V HN 0.989 nan 8.190 nan 0.000 0.450 346 D N -3.414 116.667 120.400 -0.530 0.000 2.677 346 D HA 0.132 4.772 4.640 -0.000 0.000 0.298 346 D C 0.629 176.266 176.300 -1.104 0.000 1.250 346 D CA -0.082 53.493 54.000 -0.709 0.000 0.888 346 D CB 0.753 41.267 40.800 -0.477 0.000 1.397 346 D HN -0.001 nan 8.370 nan 0.000 0.461 347 E N -0.714 118.762 120.200 -1.207 0.000 2.106 347 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 347 E C 1.144 177.583 176.600 -0.268 0.000 0.984 347 E CA 1.640 57.551 56.400 -0.815 0.000 0.806 347 E CB -0.041 29.421 29.700 -0.397 0.000 0.750 347 E HN 0.514 nan 8.360 nan 0.000 0.458 348 T N 1.014 115.425 114.554 -0.239 0.000 2.708 348 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 348 T C 1.773 176.430 174.700 -0.073 0.000 1.037 348 T CA 1.132 63.161 62.100 -0.118 0.000 1.146 348 T CB -0.122 68.681 68.868 -0.107 0.000 0.865 348 T HN 0.153 nan 8.240 nan 0.000 0.435 349 Q N 0.089 119.817 119.800 -0.121 0.000 2.079 349 Q HA 0.009 4.349 4.340 -0.000 0.000 0.200 349 Q C 2.081 178.113 176.000 0.053 0.000 0.974 349 Q CA 1.058 56.849 55.803 -0.019 0.000 0.840 349 Q CB -0.721 27.961 28.738 -0.094 0.000 0.898 349 Q HN 0.552 nan 8.270 nan 0.000 0.430 350 F N 2.060 121.909 119.950 -0.168 0.000 2.065 350 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 350 F C 2.041 177.828 175.800 -0.021 0.000 1.112 350 F CA 1.766 59.715 58.000 -0.085 0.000 1.212 350 F CB -0.031 38.887 39.000 -0.138 0.000 0.975 350 F HN -0.025 nan 8.300 nan 0.000 0.476 351 K N 0.007 120.413 120.400 0.011 0.000 2.057 351 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 351 K C 2.220 178.767 176.600 -0.088 0.000 1.050 351 K CA 1.521 57.757 56.287 -0.086 0.000 0.935 351 K CB -0.286 32.214 32.500 -0.001 0.000 0.715 351 K HN 0.239 nan 8.250 nan 0.000 0.439 352 K N 1.267 121.648 120.400 -0.031 0.000 2.057 352 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 352 K C 1.998 178.636 176.600 0.062 0.000 1.049 352 K CA 1.179 57.456 56.287 -0.018 0.000 0.931 352 K CB -0.035 32.502 32.500 0.062 0.000 0.714 352 K HN 0.046 nan 8.250 nan 0.000 0.440 353 I N 1.081 121.718 120.570 0.111 0.000 2.179 353 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 353 I C 2.124 178.292 176.117 0.085 0.000 1.088 353 I CA 1.073 62.477 61.300 0.172 0.000 1.357 353 I CB -0.204 37.861 38.000 0.107 0.000 1.051 353 I HN 0.156 nan 8.210 nan 0.000 0.409 354 L N 0.410 121.585 121.223 -0.080 0.000 2.083 354 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 354 L C 2.660 179.509 176.870 -0.035 0.000 1.083 354 L CA 1.510 56.288 54.840 -0.103 0.000 0.752 354 L CB -1.177 40.729 42.059 -0.255 0.000 0.899 354 L HN 0.348 nan 8.230 nan 0.000 0.433 355 G N -1.154 107.605 108.800 -0.069 0.000 2.422 355 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 355 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 355 G C 1.394 176.246 174.900 -0.080 0.000 1.146 355 G CA 0.482 45.517 45.100 -0.108 0.000 0.769 355 G HN 0.305 nan 8.290 nan 0.000 0.547 356 Y N 0.400 120.708 120.300 0.013 0.000 2.242 356 Y HA 0.017 4.567 4.550 -0.000 0.000 0.291 356 Y C 2.754 178.684 175.900 0.051 0.000 1.137 356 Y CA 0.566 58.680 58.100 0.024 0.000 1.181 356 Y CB -0.005 38.479 38.460 0.040 0.000 0.989 356 Y HN 0.117 nan 8.280 nan 0.000 0.527 357 I N 0.034 120.764 120.570 0.266 0.000 2.226 357 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 357 I C 2.419 178.689 176.117 0.255 0.000 1.100 357 I CA 1.444 62.946 61.300 0.337 0.000 1.374 357 I CB -0.464 37.678 38.000 0.236 0.000 1.057 357 I HN 0.387 nan 8.210 nan 0.000 0.413 358 N N 0.466 119.242 118.700 0.127 0.000 2.120 358 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 358 N C 1.716 177.257 175.510 0.051 0.000 1.024 358 N CA 1.939 55.035 53.050 0.076 0.000 0.852 358 N CB 0.103 38.604 38.487 0.022 0.000 1.003 358 N HN 0.253 nan 8.380 nan 0.000 0.424 359 T N -0.287 114.285 114.554 0.030 0.000 2.746 359 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 359 T C 1.785 176.453 174.700 -0.053 0.000 1.039 359 T CA 1.251 63.350 62.100 -0.001 0.000 1.142 359 T CB -0.712 68.166 68.868 0.016 0.000 0.866 359 T HN 0.450 nan 8.240 nan 0.000 0.444 360 G N 1.763 110.488 108.800 -0.126 0.000 2.440 360 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 360 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 360 G C 1.610 176.330 174.900 -0.301 0.000 1.154 360 G CA 0.737 45.542 45.100 -0.492 0.000 0.767 360 G HN 0.437 nan 8.290 nan 0.000 0.552 361 K N 0.062 120.472 120.400 0.016 0.000 2.026 361 K HA -0.080 4.240 4.320 -0.000 0.000 0.208 361 K C 2.747 179.376 176.600 0.048 0.000 1.048 361 K CA 1.338 57.706 56.287 0.136 0.000 0.929 361 K CB -0.220 32.387 32.500 0.177 0.000 0.713 361 K HN 0.348 nan 8.250 nan 0.000 0.439 362 Q N 0.791 120.603 119.800 0.020 0.000 2.124 362 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 362 Q C 1.402 177.398 176.000 -0.006 0.000 0.977 362 Q CA 1.328 57.136 55.803 0.009 0.000 0.850 362 Q CB 0.026 28.765 28.738 0.002 0.000 0.901 362 Q HN 0.376 nan 8.270 nan 0.000 0.429 363 E N -0.980 119.201 120.200 -0.032 0.000 2.502 363 E HA 0.033 4.383 4.350 -0.000 0.000 0.194 363 E C 0.674 177.256 176.600 -0.030 0.000 1.062 363 E CA 0.297 56.676 56.400 -0.036 0.000 0.867 363 E CB 0.400 30.068 29.700 -0.053 0.000 0.888 363 E HN 0.515 nan 8.360 nan 0.000 0.510 364 G N 0.869 109.659 108.800 -0.016 0.000 2.159 364 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.227 364 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.227 364 G C 0.329 175.239 174.900 0.017 0.000 0.986 364 G CA -0.101 45.003 45.100 0.008 0.000 0.651 364 G HN 0.433 nan 8.290 nan 0.000 0.523 365 A N 0.118 122.922 122.820 -0.025 0.000 2.407 365 A HA 0.615 4.934 4.320 -0.000 0.000 0.248 365 A C 0.625 178.336 177.584 0.211 0.000 1.082 365 A CA 0.542 52.589 52.037 0.016 0.000 0.785 365 A CB 0.444 19.288 19.000 -0.260 0.000 1.020 365 A HN 0.537 nan 8.150 nan 0.000 0.489 366 K N 2.201 122.755 120.400 0.257 0.000 2.284 366 K HA 0.288 4.608 4.320 -0.000 0.000 0.287 366 K C -0.789 175.994 176.600 0.305 0.000 1.081 366 K CA -0.482 55.951 56.287 0.244 0.000 0.910 366 K CB 0.209 32.810 32.500 0.168 0.000 1.088 366 K HN 0.574 nan 8.250 nan 0.000 0.478 367 L N 6.550 127.909 121.223 0.227 0.000 2.456 367 L HA 0.084 4.424 4.340 -0.000 0.000 0.277 367 L C 0.279 177.114 176.870 -0.058 0.000 1.124 367 L CA 0.545 55.354 54.840 -0.052 0.000 0.880 367 L CB 0.394 42.422 42.059 -0.050 0.000 1.192 367 L HN 0.810 nan 8.230 nan 0.000 0.463 368 L N 4.777 125.938 121.223 -0.103 0.000 2.354 368 L HA 0.196 4.536 4.340 -0.000 0.000 0.212 368 L C 0.471 177.298 176.870 -0.071 0.000 1.091 368 L CA 0.285 55.096 54.840 -0.050 0.000 0.828 368 L CB -0.049 42.001 42.059 -0.015 0.000 0.973 368 L HN 0.843 nan 8.230 nan 0.000 0.461 369 C N -3.331 115.899 119.300 -0.118 0.000 3.253 369 C HA 0.716 5.176 4.460 -0.000 0.000 0.342 369 C C 0.659 175.578 174.990 -0.119 0.000 1.306 369 C CA -0.655 58.307 59.018 -0.095 0.000 1.207 369 C CB 0.799 28.497 27.740 -0.071 0.000 1.479 369 C HN 0.623 nan 8.230 nan 0.000 0.469 370 G N 0.889 109.640 108.800 -0.082 0.000 2.566 370 G HA2 0.356 4.316 3.960 -0.000 0.000 0.280 370 G HA3 0.356 4.316 3.960 -0.000 0.000 0.280 370 G C 1.324 176.174 174.900 -0.083 0.000 1.225 370 G CA 2.338 47.398 45.100 -0.066 0.000 0.966 370 G HN 3.343 nan 8.290 nan 0.000 0.560 371 G N -2.232 106.522 108.800 -0.076 0.000 2.179 371 G HA2 0.448 4.408 3.960 -0.000 0.000 0.220 371 G HA3 0.448 4.408 3.960 -0.000 0.000 0.220 371 G C 1.405 176.298 174.900 -0.013 0.000 0.990 371 G CA 0.963 46.024 45.100 -0.065 0.000 0.646 371 G HN 2.585 nan 8.290 nan 0.000 0.517 372 G N -0.977 107.822 108.800 -0.002 0.000 2.921 372 G HA2 0.669 4.629 3.960 -0.000 0.000 0.291 372 G HA3 0.669 4.629 3.960 -0.000 0.000 0.291 372 G C -0.323 174.601 174.900 0.039 0.000 1.370 372 G CA -0.774 44.331 45.100 0.009 0.000 0.847 372 G HN 0.615 nan 8.290 nan 0.000 0.532 373 I N 1.189 121.798 120.570 0.066 0.000 2.648 373 I HA 0.226 4.396 4.170 -0.000 0.000 0.284 373 I C 1.484 177.693 176.117 0.152 0.000 1.153 373 I CA 0.084 61.486 61.300 0.170 0.000 1.426 373 I CB 1.647 39.786 38.000 0.233 0.000 1.381 373 I HN 0.562 nan 8.210 nan 0.000 0.571 374 A N 5.092 128.035 122.820 0.204 0.000 2.169 374 A HA 0.638 4.958 4.320 -0.000 0.000 0.210 374 A C 0.784 178.401 177.584 0.056 0.000 1.168 374 A CA 0.683 52.793 52.037 0.121 0.000 0.813 374 A CB 0.134 19.216 19.000 0.136 0.000 0.861 374 A HN 0.795 nan 8.150 nan 0.000 0.481 375 A N -1.058 121.829 122.820 0.112 0.000 2.609 375 A HA 0.563 4.883 4.320 -0.000 0.000 0.291 375 A C -0.588 177.037 177.584 0.069 0.000 1.096 375 A CA -0.223 51.821 52.037 0.011 0.000 0.684 375 A CB 0.457 19.359 19.000 -0.164 0.000 1.282 375 A HN -0.050 nan 8.150 nan 0.000 0.412 376 D N -0.092 120.316 120.400 0.013 0.000 2.249 376 D HA 0.048 4.688 4.640 -0.000 0.000 0.205 376 D C 0.675 176.973 176.300 -0.003 0.000 0.962 376 D CA 1.047 55.059 54.000 0.019 0.000 0.860 376 D CB 0.291 41.090 40.800 -0.002 0.000 0.955 376 D HN 0.471 nan 8.370 nan 0.000 0.505 377 R N -0.158 120.331 120.500 -0.018 0.000 2.637 377 R HA 0.484 4.824 4.340 -0.000 0.000 0.291 377 R C 0.134 176.421 176.300 -0.022 0.000 0.963 377 R CA 0.027 56.092 56.100 -0.058 0.000 0.901 377 R CB 1.571 31.838 30.300 -0.054 0.000 1.160 377 R HN 0.122 nan 8.270 nan 0.000 0.457 378 G N 1.903 110.530 108.800 -0.288 0.000 2.728 378 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.294 378 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.294 378 G C -1.030 173.337 174.900 -0.888 0.000 1.342 378 G CA -0.372 44.390 45.100 -0.565 0.000 0.866 378 G HN 0.647 nan 8.290 nan 0.000 0.534 379 Y N -0.122 119.772 120.300 -0.677 0.000 2.724 379 Y HA 0.538 5.088 4.550 -0.000 0.000 0.370 379 Y C 0.514 176.163 175.900 -0.418 0.000 0.978 379 Y CA -0.780 56.789 58.100 -0.884 0.000 1.443 379 Y CB 0.120 38.166 38.460 -0.690 0.000 1.386 379 Y HN 0.332 nan 8.280 nan 0.000 0.557 380 F N 1.674 121.658 119.950 0.056 0.000 2.410 380 F HA 0.475 5.002 4.527 -0.000 0.000 0.348 380 F C 0.211 176.197 175.800 0.309 0.000 1.106 380 F CA -0.766 57.329 58.000 0.158 0.000 1.163 380 F CB 0.672 39.700 39.000 0.046 0.000 1.129 380 F HN 0.024 nan 8.300 nan 0.000 0.516 381 I N 2.633 123.432 120.570 0.382 0.000 2.509 381 I HA 0.252 4.422 4.170 -0.000 0.000 0.293 381 I C -0.514 175.707 176.117 0.173 0.000 1.020 381 I CA -1.048 60.403 61.300 0.252 0.000 1.088 381 I CB 1.979 40.081 38.000 0.171 0.000 1.267 381 I HN 0.524 nan 8.210 nan 0.000 0.430 382 Q N 5.675 125.544 119.800 0.115 0.000 2.364 382 Q HA 0.184 4.524 4.340 -0.000 0.000 0.267 382 Q C -2.318 173.720 176.000 0.063 0.000 0.999 382 Q CA -1.542 54.300 55.803 0.064 0.000 0.886 382 Q CB 0.118 28.873 28.738 0.027 0.000 1.243 382 Q HN 0.253 nan 8.270 nan 0.000 0.415 383 P HA -0.023 nan 4.420 nan 0.000 0.265 383 P C -1.127 176.218 177.300 0.075 0.000 1.222 383 P CA 0.455 63.579 63.100 0.039 0.000 0.767 383 P CB 0.580 32.103 31.700 -0.294 0.000 0.801 384 T N 3.128 117.792 114.554 0.183 0.000 2.797 384 T HA 0.459 4.809 4.350 -0.000 0.000 0.279 384 T C -0.283 174.433 174.700 0.027 0.000 0.991 384 T CA -0.438 61.668 62.100 0.010 0.000 0.979 384 T CB 0.961 69.783 68.868 -0.076 0.000 0.943 384 T HN -0.053 nan 8.240 nan 0.000 0.444 385 V N 3.850 123.700 119.914 -0.107 0.000 2.487 385 V HA 0.533 4.653 4.120 -0.000 0.000 0.298 385 V C -0.970 175.021 176.094 -0.172 0.000 1.028 385 V CA -0.916 61.360 62.300 -0.039 0.000 0.860 385 V CB 1.268 33.118 31.823 0.046 0.000 0.991 385 V HN 0.835 nan 8.190 nan 0.000 0.427 386 F N 2.295 122.277 119.950 0.053 0.000 2.458 386 F HA 0.767 5.294 4.527 -0.000 0.000 0.336 386 F C 0.908 176.747 175.800 0.065 0.000 1.114 386 F CA -0.327 57.703 58.000 0.050 0.000 0.987 386 F CB 2.105 41.126 39.000 0.034 0.000 1.130 386 F HN 0.611 nan 8.300 nan 0.000 0.458 387 G N 0.725 109.700 108.800 0.292 0.000 2.509 387 G HA2 0.377 4.337 3.960 -0.000 0.000 0.328 387 G HA3 0.377 4.337 3.960 -0.000 0.000 0.328 387 G C -0.634 174.417 174.900 0.251 0.000 1.194 387 G CA -0.659 44.600 45.100 0.264 0.000 0.967 387 G HN 0.712 nan 8.290 nan 0.000 0.488 388 D N -1.109 119.460 120.400 0.282 0.000 2.751 388 D HA -0.165 4.475 4.640 -0.000 0.000 0.233 388 D C 0.603 176.952 176.300 0.082 0.000 1.149 388 D CA 0.648 54.730 54.000 0.136 0.000 0.682 388 D CB -1.322 39.536 40.800 0.097 0.000 1.068 388 D HN 0.211 nan 8.370 nan 0.000 0.429 389 V N 0.765 120.728 119.914 0.081 0.000 2.715 389 V HA 0.038 4.158 4.120 -0.000 0.000 0.299 389 V C 0.889 176.982 176.094 -0.001 0.000 1.054 389 V CA 0.135 62.443 62.300 0.013 0.000 1.077 389 V CB 1.657 33.469 31.823 -0.017 0.000 0.972 389 V HN 0.054 nan 8.190 nan 0.000 0.484 390 Q N 2.047 121.842 119.800 -0.008 0.000 2.257 390 Q HA 0.325 4.665 4.340 -0.000 0.000 0.262 390 Q C 0.457 176.466 176.000 0.014 0.000 0.997 390 Q CA -0.754 55.056 55.803 0.013 0.000 0.873 390 Q CB 1.513 30.259 28.738 0.014 0.000 1.312 390 Q HN 0.660 nan 8.270 nan 0.000 0.450 391 D N 1.310 121.741 120.400 0.051 0.000 2.158 391 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 391 D C 1.477 177.803 176.300 0.043 0.000 0.995 391 D CA 1.688 55.729 54.000 0.068 0.000 0.846 391 D CB -0.059 40.806 40.800 0.108 0.000 0.941 391 D HN 0.829 nan 8.370 nan 0.000 0.456 392 G N -0.273 108.546 108.800 0.031 0.000 2.744 392 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.211 392 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.211 392 G C 0.746 175.652 174.900 0.010 0.000 1.143 392 G CA -0.179 44.934 45.100 0.022 0.000 0.788 392 G HN 0.169 nan 8.290 nan 0.000 0.534 393 M N 0.632 120.230 119.600 -0.004 0.000 2.243 393 M HA 0.138 4.618 4.480 -0.000 0.000 0.341 393 M C 1.817 178.110 176.300 -0.012 0.000 1.130 393 M CA -0.112 55.174 55.300 -0.023 0.000 1.162 393 M CB 0.979 33.542 32.600 -0.061 0.000 1.497 393 M HN -0.075 nan 8.290 nan 0.000 0.456 394 T N 2.567 117.122 114.554 0.000 0.000 2.720 394 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 394 T C 1.539 176.256 174.700 0.029 0.000 1.037 394 T CA 1.792 63.920 62.100 0.047 0.000 1.144 394 T CB -0.452 68.469 68.868 0.089 0.000 0.864 394 T HN 0.769 nan 8.240 nan 0.000 0.444 395 I N -0.345 120.203 120.570 -0.036 0.000 2.916 395 I HA 0.154 4.324 4.170 -0.000 0.000 0.267 395 I C 2.290 178.349 176.117 -0.098 0.000 1.263 395 I CA 0.917 62.155 61.300 -0.104 0.000 1.471 395 I CB -0.411 37.472 38.000 -0.195 0.000 1.089 395 I HN 0.089 nan 8.210 nan 0.000 0.468 396 A N 1.145 123.927 122.820 -0.062 0.000 2.195 396 A HA 0.153 4.473 4.320 -0.000 0.000 0.210 396 A C 2.199 179.788 177.584 0.009 0.000 1.165 396 A CA 0.317 52.328 52.037 -0.044 0.000 0.806 396 A CB -0.066 18.911 19.000 -0.038 0.000 0.847 396 A HN 0.440 nan 8.150 nan 0.000 0.482 397 K N -0.256 120.160 120.400 0.027 0.000 2.329 397 K HA 0.153 4.473 4.320 -0.000 0.000 0.198 397 K C -0.088 176.589 176.600 0.128 0.000 1.085 397 K CA 0.243 56.578 56.287 0.080 0.000 0.961 397 K CB 0.447 32.988 32.500 0.068 0.000 0.971 397 K HN 0.416 nan 8.250 nan 0.000 0.502 398 E N 1.926 122.170 120.200 0.074 0.000 2.266 398 E HA 0.076 4.426 4.350 -0.000 0.000 0.277 398 E C -0.922 175.631 176.600 -0.078 0.000 1.018 398 E CA -0.327 56.123 56.400 0.084 0.000 0.840 398 E CB 1.561 31.348 29.700 0.145 0.000 1.082 398 E HN 0.077 nan 8.360 nan 0.000 0.395 399 E N 3.004 123.199 120.200 -0.008 0.000 2.265 399 E HA -0.011 4.339 4.350 -0.000 0.000 0.272 399 E C 0.262 176.749 176.600 -0.189 0.000 1.067 399 E CA 0.006 56.349 56.400 -0.094 0.000 0.900 399 E CB 0.394 30.037 29.700 -0.094 0.000 1.017 399 E HN 0.529 nan 8.360 nan 0.000 0.431 400 I N 4.441 124.858 120.570 -0.256 0.000 2.480 400 I HA -0.070 4.100 4.170 -0.000 0.000 0.251 400 I C 0.466 176.656 176.117 0.122 0.000 1.124 400 I CA 0.067 61.173 61.300 -0.324 0.000 1.444 400 I CB 0.078 37.887 38.000 -0.318 0.000 1.098 400 I HN 0.688 nan 8.210 nan 0.000 0.428 401 F N 1.522 121.430 119.950 -0.071 0.000 3.080 401 F HA -0.180 4.347 4.527 -0.000 0.000 0.292 401 F C 0.448 176.271 175.800 0.039 0.000 0.891 401 F CA 0.637 58.645 58.000 0.012 0.000 1.086 401 F CB -1.405 37.655 39.000 0.100 0.000 1.095 401 F HN 0.156 nan 8.300 nan 0.000 0.633 402 G N -0.704 108.107 108.800 0.019 0.000 2.788 402 G HA2 0.646 4.606 3.960 -0.000 0.000 0.293 402 G HA3 0.646 4.606 3.960 -0.000 0.000 0.293 402 G C -2.997 171.867 174.900 -0.059 0.000 1.392 402 G CA -0.706 44.398 45.100 0.006 0.000 0.810 402 G HN -0.142 nan 8.290 nan 0.000 0.508 403 P HA 0.282 nan 4.420 nan 0.000 0.226 403 P C -0.669 176.680 177.300 0.082 0.000 1.783 403 P CA -0.046 63.106 63.100 0.088 0.000 0.980 403 P CB 0.218 32.091 31.700 0.290 0.000 1.967 404 V N 3.399 123.248 119.914 -0.107 0.000 2.419 404 V HA 0.339 4.459 4.120 -0.000 0.000 0.287 404 V C 0.221 176.238 176.094 -0.128 0.000 1.017 404 V CA -0.630 61.660 62.300 -0.018 0.000 0.844 404 V CB 1.970 33.850 31.823 0.094 0.000 1.011 404 V HN 0.321 nan 8.190 nan 0.000 0.429 405 M N 4.023 123.555 119.600 -0.113 0.000 2.264 405 M HA 0.614 5.094 4.480 -0.000 0.000 0.352 405 M C -0.840 175.494 176.300 0.056 0.000 1.173 405 M CA -0.296 54.929 55.300 -0.125 0.000 1.075 405 M CB 1.513 34.035 32.600 -0.130 0.000 1.621 405 M HN 0.624 nan 8.290 nan 0.000 0.457 406 Q N 4.952 124.756 119.800 0.007 0.000 2.333 406 Q HA 0.594 4.934 4.340 -0.000 0.000 0.265 406 Q C -1.310 174.691 176.000 0.002 0.000 0.989 406 Q CA -0.007 55.819 55.803 0.038 0.000 0.842 406 Q CB 1.932 30.646 28.738 -0.040 0.000 1.262 406 Q HN 0.706 nan 8.270 nan 0.000 0.451 407 I N 4.000 124.613 120.570 0.072 0.000 2.362 407 I HA 0.419 4.589 4.170 -0.000 0.000 0.289 407 I C -0.981 175.222 176.117 0.143 0.000 0.994 407 I CA -0.905 60.448 61.300 0.089 0.000 1.158 407 I CB 0.936 39.012 38.000 0.126 0.000 1.315 407 I HN 0.331 nan 8.210 nan 0.000 0.451 408 L N 6.362 127.620 121.223 0.057 0.000 2.333 408 L HA 0.550 4.890 4.340 -0.000 0.000 0.269 408 L C -0.177 176.855 176.870 0.270 0.000 1.010 408 L CA -0.542 54.340 54.840 0.070 0.000 0.818 408 L CB 1.513 43.433 42.059 -0.231 0.000 1.306 408 L HN 0.449 nan 8.230 nan 0.000 0.430 409 K N 1.740 122.245 120.400 0.175 0.000 2.164 409 K HA 0.715 5.035 4.320 -0.000 0.000 0.258 409 K C -1.469 175.290 176.600 0.265 0.000 0.951 409 K CA -0.478 55.874 56.287 0.107 0.000 0.844 409 K CB 1.328 33.594 32.500 -0.390 0.000 1.099 409 K HN 0.544 nan 8.250 nan 0.000 0.435 410 F N 1.105 121.123 119.950 0.114 0.000 2.643 410 F HA 0.454 4.981 4.527 -0.000 0.000 0.314 410 F C 0.207 176.036 175.800 0.049 0.000 1.096 410 F CA -0.925 57.132 58.000 0.095 0.000 0.953 410 F CB 1.606 40.682 39.000 0.126 0.000 1.345 410 F HN 0.524 nan 8.300 nan 0.000 0.468 411 K N 0.065 120.513 120.400 0.081 0.000 2.266 411 K HA 0.201 4.521 4.320 -0.000 0.000 0.209 411 K C 0.228 176.865 176.600 0.060 0.000 1.065 411 K CA 1.061 57.322 56.287 -0.044 0.000 0.946 411 K CB 0.218 32.724 32.500 0.011 0.000 1.069 411 K HN 0.901 nan 8.250 nan 0.000 0.472 412 T N -1.940 112.757 114.554 0.239 0.000 2.945 412 T HA 0.264 4.613 4.350 -0.000 0.000 0.286 412 T C 1.180 176.055 174.700 0.291 0.000 1.025 412 T CA -0.841 61.384 62.100 0.209 0.000 1.039 412 T CB 1.493 70.418 68.868 0.094 0.000 1.068 412 T HN 0.195 nan 8.240 nan 0.000 0.497 413 I N 0.448 121.118 120.570 0.167 0.000 2.315 413 I HA -0.110 4.060 4.170 -0.000 0.000 0.248 413 I C 2.140 178.286 176.117 0.048 0.000 1.117 413 I CA 1.527 62.877 61.300 0.084 0.000 1.404 413 I CB -0.025 37.952 38.000 -0.039 0.000 1.071 413 I HN 0.772 nan 8.210 nan 0.000 0.419 414 E N 0.606 120.832 120.200 0.044 0.000 2.072 414 E HA -0.277 4.073 4.350 -0.000 0.000 0.191 414 E C 1.967 178.584 176.600 0.029 0.000 0.985 414 E CA 1.348 57.795 56.400 0.078 0.000 0.801 414 E CB -0.223 29.512 29.700 0.058 0.000 0.750 414 E HN 0.526 nan 8.360 nan 0.000 0.452 415 E N 0.497 120.713 120.200 0.026 0.000 2.031 415 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 415 E C 2.110 178.637 176.600 -0.122 0.000 0.994 415 E CA 1.201 57.602 56.400 0.003 0.000 0.800 415 E CB -0.072 29.678 29.700 0.084 0.000 0.752 415 E HN 0.167 nan 8.360 nan 0.000 0.447 416 V N 0.501 120.258 119.914 -0.261 0.000 2.490 416 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 416 V C 2.328 178.112 176.094 -0.516 0.000 1.061 416 V CA 1.392 63.295 62.300 -0.662 0.000 1.064 416 V CB 0.001 31.035 31.823 -1.315 0.000 0.670 416 V HN 0.223 nan 8.190 nan 0.000 0.461 417 V N 0.601 120.357 119.914 -0.263 0.000 2.295 417 V HA -0.170 3.949 4.120 -0.000 0.000 0.246 417 V C 2.660 178.651 176.094 -0.171 0.000 1.049 417 V CA 2.252 64.444 62.300 -0.180 0.000 1.024 417 V CB -1.376 30.413 31.823 -0.057 0.000 0.648 417 V HN 0.633 nan 8.190 nan 0.000 0.447 418 G N -0.368 108.356 108.800 -0.127 0.000 2.421 418 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 418 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 418 G C 1.741 176.582 174.900 -0.099 0.000 1.171 418 G CA 0.755 45.803 45.100 -0.087 0.000 0.775 418 G HN 0.451 nan 8.290 nan 0.000 0.543 419 R N 0.466 120.869 120.500 -0.161 0.000 2.092 419 R HA 0.123 4.463 4.340 -0.000 0.000 0.231 419 R C 3.015 179.233 176.300 -0.137 0.000 1.119 419 R CA 1.012 57.041 56.100 -0.120 0.000 0.970 419 R CB -0.342 29.884 30.300 -0.124 0.000 0.864 419 R HN 0.340 nan 8.270 nan 0.000 0.440 420 A N 1.599 124.198 122.820 -0.368 0.000 1.902 420 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 420 A C 1.646 179.198 177.584 -0.053 0.000 1.181 420 A CA 1.464 53.367 52.037 -0.222 0.000 0.623 420 A CB -0.334 18.471 19.000 -0.326 0.000 0.818 420 A HN 0.218 nan 8.150 nan 0.000 0.443 421 N N 0.173 118.825 118.700 -0.081 0.000 2.494 421 N HA -0.057 4.683 4.740 -0.000 0.000 0.182 421 N C 0.301 175.809 175.510 -0.003 0.000 1.076 421 N CA 0.365 53.391 53.050 -0.041 0.000 0.908 421 N CB -0.469 37.982 38.487 -0.060 0.000 0.967 421 N HN 0.426 nan 8.380 nan 0.000 0.449 422 N N 0.969 119.673 118.700 0.007 0.000 2.895 422 N HA 0.047 4.787 4.740 -0.000 0.000 0.277 422 N C -1.311 174.230 175.510 0.051 0.000 1.185 422 N CA 0.074 53.139 53.050 0.025 0.000 1.106 422 N CB -0.191 38.312 38.487 0.028 0.000 1.422 422 N HN -0.083 nan 8.380 nan 0.000 0.521 423 S N 0.096 115.823 115.700 0.045 0.000 2.552 423 S HA 0.245 4.715 4.470 -0.000 0.000 0.272 423 S C 0.794 175.404 174.600 0.017 0.000 1.150 423 S CA -0.377 57.859 58.200 0.060 0.000 0.849 423 S CB 0.257 63.538 63.200 0.136 0.000 1.113 423 S HN 0.415 nan 8.310 nan 0.000 0.458 424 T N 0.530 115.045 114.554 -0.066 0.000 3.113 424 T HA 0.267 4.617 4.350 -0.000 0.000 0.256 424 T C 0.505 175.128 174.700 -0.129 0.000 1.131 424 T CA 0.460 62.476 62.100 -0.141 0.000 1.074 424 T CB -0.509 68.207 68.868 -0.254 0.000 0.944 424 T HN 0.540 nan 8.240 nan 0.000 0.516 425 Y N 0.485 120.806 120.300 0.035 0.000 2.374 425 Y HA 0.569 5.119 4.550 -0.000 0.000 0.322 425 Y C 1.297 177.215 175.900 0.029 0.000 1.275 425 Y CA -0.769 57.354 58.100 0.038 0.000 1.307 425 Y CB 1.680 40.168 38.460 0.048 0.000 1.282 425 Y HN 0.135 nan 8.280 nan 0.000 0.509 426 G N 1.272 110.202 108.800 0.215 0.000 5.515 426 G HA2 0.069 4.029 3.960 -0.000 0.000 0.198 426 G HA3 0.069 4.029 3.960 -0.000 0.000 0.198 426 G C -0.207 174.681 174.900 -0.020 0.000 0.858 426 G CA -0.279 44.861 45.100 0.067 0.000 0.634 426 G HN 0.541 nan 8.290 nan 0.000 0.290 427 L N 0.617 121.833 121.223 -0.012 0.000 2.049 427 L HA 0.750 5.090 4.340 -0.000 0.000 0.203 427 L C 1.164 177.905 176.870 -0.216 0.000 1.074 427 L CA 2.328 57.101 54.840 -0.112 0.000 0.749 427 L CB -0.068 41.978 42.059 -0.021 0.000 0.907 427 L HN 0.488 nan 8.230 nan 0.000 0.439 428 A N -2.172 120.581 122.820 -0.112 0.000 2.567 428 A HA 0.905 5.225 4.320 -0.000 0.000 0.289 428 A C -1.443 176.101 177.584 -0.066 0.000 1.177 428 A CA -0.101 51.817 52.037 -0.198 0.000 0.694 428 A CB 0.894 19.818 19.000 -0.126 0.000 1.292 428 A HN 0.541 nan 8.150 nan 0.000 0.425 429 A N -1.369 121.396 122.820 -0.091 0.000 2.586 429 A HA 0.979 5.298 4.320 -0.000 0.000 0.291 429 A C -0.710 176.975 177.584 0.170 0.000 1.062 429 A CA 0.117 52.207 52.037 0.089 0.000 0.666 429 A CB 0.528 19.517 19.000 -0.019 0.000 1.281 429 A HN 2.667 nan 8.150 nan 0.000 0.421 430 A N -0.315 122.712 122.820 0.345 0.000 2.539 430 A HA 0.821 5.141 4.320 -0.000 0.000 0.296 430 A C -1.497 176.299 177.584 0.353 0.000 1.073 430 A CA -0.509 51.781 52.037 0.421 0.000 0.700 430 A CB 1.641 21.132 19.000 0.819 0.000 1.296 430 A HN 1.808 nan 8.150 nan 0.000 0.405 431 V N 0.976 121.039 119.914 0.247 0.000 2.623 431 V HA 0.531 4.651 4.120 -0.000 0.000 0.304 431 V C -1.627 174.528 176.094 0.102 0.000 1.054 431 V CA -0.236 62.192 62.300 0.214 0.000 0.882 431 V CB 1.421 33.304 31.823 0.100 0.000 1.002 431 V HN 0.706 nan 8.190 nan 0.000 0.424 432 F N 2.808 122.870 119.950 0.186 0.000 2.403 432 F HA 0.777 5.304 4.527 -0.000 0.000 0.355 432 F C 0.355 176.261 175.800 0.176 0.000 1.119 432 F CA -0.209 57.913 58.000 0.202 0.000 1.007 432 F CB 2.022 41.151 39.000 0.215 0.000 1.194 432 F HN 0.521 nan 8.300 nan 0.000 0.443 433 T N 2.029 116.714 114.554 0.218 0.000 2.827 433 T HA 0.281 4.631 4.350 -0.000 0.000 0.328 433 T C 0.077 174.849 174.700 0.120 0.000 1.598 433 T CA -0.691 61.513 62.100 0.173 0.000 1.043 433 T CB 1.439 70.390 68.868 0.139 0.000 1.447 433 T HN 0.636 nan 8.240 nan 0.000 0.491 434 K N 0.777 121.239 120.400 0.104 0.000 2.367 434 K HA 0.180 4.500 4.320 -0.000 0.000 0.194 434 K C -0.196 176.435 176.600 0.052 0.000 1.027 434 K CA -0.089 56.240 56.287 0.071 0.000 1.075 434 K CB 0.267 32.808 32.500 0.068 0.000 0.845 434 K HN 0.496 nan 8.250 nan 0.000 0.529 435 D N 1.009 121.444 120.400 0.057 0.000 2.312 435 D HA 0.019 4.658 4.640 -0.000 0.000 0.252 435 D C 0.862 177.187 176.300 0.041 0.000 1.150 435 D CA -0.275 53.751 54.000 0.044 0.000 0.870 435 D CB 1.078 41.904 40.800 0.043 0.000 1.153 435 D HN -0.164 nan 8.370 nan 0.000 0.457 436 L N 4.085 125.327 121.223 0.032 0.000 1.989 436 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 436 L C 1.262 178.156 176.870 0.040 0.000 1.071 436 L CA 1.967 56.825 54.840 0.031 0.000 0.749 436 L CB -0.449 41.624 42.059 0.023 0.000 0.890 436 L HN 0.507 nan 8.230 nan 0.000 0.431 437 D N -0.400 120.024 120.400 0.039 0.000 2.144 437 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 437 D C 2.200 178.547 176.300 0.079 0.000 0.984 437 D CA 1.253 55.284 54.000 0.052 0.000 0.834 437 D CB -0.062 40.756 40.800 0.030 0.000 0.955 437 D HN 0.396 nan 8.370 nan 0.000 0.465 438 K N 0.478 120.913 120.400 0.058 0.000 2.097 438 K HA -0.027 4.293 4.320 -0.000 0.000 0.206 438 K C 2.097 178.770 176.600 0.121 0.000 1.049 438 K CA 1.081 57.415 56.287 0.078 0.000 0.933 438 K CB -0.043 32.493 32.500 0.060 0.000 0.717 438 K HN 0.029 nan 8.250 nan 0.000 0.442 439 A N 1.968 124.838 122.820 0.084 0.000 1.877 439 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 439 A C 1.831 179.450 177.584 0.058 0.000 1.186 439 A CA 1.567 53.641 52.037 0.063 0.000 0.620 439 A CB -0.415 18.607 19.000 0.037 0.000 0.822 439 A HN 0.215 nan 8.150 nan 0.000 0.443 440 N N -1.585 117.154 118.700 0.066 0.000 2.216 440 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 440 N C 1.584 177.133 175.510 0.066 0.000 1.017 440 N CA 1.526 54.605 53.050 0.049 0.000 0.861 440 N CB -0.565 37.950 38.487 0.046 0.000 0.986 440 N HN 0.677 nan 8.380 nan 0.000 0.428 441 Y N 1.687 121.979 120.300 -0.013 0.000 2.114 441 Y HA -0.101 4.449 4.550 -0.000 0.000 0.284 441 Y C 2.199 178.080 175.900 -0.031 0.000 1.143 441 Y CA 1.465 59.555 58.100 -0.017 0.000 1.135 441 Y CB -0.372 38.083 38.460 -0.008 0.000 0.980 441 Y HN -0.053 nan 8.280 nan 0.000 0.499 442 L N -0.300 121.010 121.223 0.146 0.000 2.027 442 L HA -0.199 4.141 4.340 -0.000 0.000 0.206 442 L C 2.783 179.604 176.870 -0.081 0.000 1.074 442 L CA 1.501 56.353 54.840 0.020 0.000 0.745 442 L CB -0.872 41.240 42.059 0.088 0.000 0.898 442 L HN 0.371 nan 8.230 nan 0.000 0.433 443 S N -0.657 115.009 115.700 -0.057 0.000 2.383 443 S HA -0.317 4.153 4.470 -0.000 0.000 0.229 443 S C 1.920 176.442 174.600 -0.129 0.000 1.030 443 S CA 1.537 59.680 58.200 -0.095 0.000 1.002 443 S CB -0.462 62.695 63.200 -0.073 0.000 0.829 443 S HN 0.524 nan 8.310 nan 0.000 0.467 444 Q N 1.283 121.005 119.800 -0.130 0.000 2.083 444 Q HA 0.060 4.400 4.340 -0.000 0.000 0.198 444 Q C 2.232 178.123 176.000 -0.182 0.000 0.969 444 Q CA 1.194 56.912 55.803 -0.142 0.000 0.838 444 Q CB -0.519 28.139 28.738 -0.134 0.000 0.900 444 Q HN 0.699 nan 8.270 nan 0.000 0.436 445 A N 0.704 123.368 122.820 -0.260 0.000 1.968 445 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 445 A C 0.953 178.416 177.584 -0.201 0.000 1.169 445 A CA 0.160 52.033 52.037 -0.275 0.000 0.638 445 A CB -0.346 18.389 19.000 -0.442 0.000 0.812 445 A HN 0.373 nan 8.150 nan 0.000 0.446 446 L N 0.908 122.014 121.223 -0.195 0.000 2.455 446 L HA 0.054 4.394 4.340 -0.000 0.000 0.272 446 L C 0.102 176.819 176.870 -0.255 0.000 1.174 446 L CA -0.105 54.618 54.840 -0.195 0.000 0.869 446 L CB 0.507 42.458 42.059 -0.180 0.000 1.130 446 L HN 0.392 nan 8.230 nan 0.000 0.474 447 Q N 3.784 123.443 119.800 -0.236 0.000 2.835 447 Q HA 0.526 4.866 4.340 -0.000 0.000 0.235 447 Q C -0.421 175.229 176.000 -0.582 0.000 1.313 447 Q CA -0.264 55.351 55.803 -0.314 0.000 1.053 447 Q CB 0.769 29.477 28.738 -0.049 0.000 1.443 447 Q HN 0.682 nan 8.270 nan 0.000 0.576 448 A N -0.133 122.098 122.820 -0.982 0.000 2.572 448 A HA 0.678 4.998 4.320 -0.000 0.000 0.295 448 A C 0.841 177.817 177.584 -1.013 0.000 1.072 448 A CA -0.419 51.120 52.037 -0.829 0.000 0.691 448 A CB 1.164 19.907 19.000 -0.428 0.000 1.291 448 A HN 0.538 nan 8.150 nan 0.000 0.404 449 G N 0.003 108.455 108.800 -0.581 0.000 2.422 449 G HA2 0.265 4.225 3.960 -0.000 0.000 0.218 449 G HA3 0.265 4.225 3.960 -0.000 0.000 0.218 449 G C 0.523 175.170 174.900 -0.422 0.000 1.146 449 G CA 1.719 46.624 45.100 -0.325 0.000 0.769 449 G HN 0.845 nan 8.290 nan 0.000 0.547 450 T N -0.289 113.935 114.554 -0.550 0.000 2.881 450 T HA 0.521 4.870 4.350 -0.000 0.000 0.290 450 T C -1.131 173.107 174.700 -0.771 0.000 1.000 450 T CA -0.400 61.277 62.100 -0.706 0.000 0.978 450 T CB 2.721 71.012 68.868 -0.961 0.000 0.997 450 T HN -0.095 nan 8.240 nan 0.000 0.443 451 V N 3.836 123.362 119.914 -0.648 0.000 2.407 451 V HA 0.433 4.553 4.120 -0.000 0.000 0.291 451 V C -0.742 175.113 176.094 -0.399 0.000 1.018 451 V CA -1.013 61.019 62.300 -0.446 0.000 0.842 451 V CB 1.295 32.958 31.823 -0.268 0.000 0.996 451 V HN 0.771 nan 8.190 nan 0.000 0.426 452 W N 3.649 124.844 121.300 -0.174 0.000 2.417 452 W HA 0.628 5.288 4.660 -0.000 0.000 0.317 452 W C -0.549 175.880 176.519 -0.150 0.000 1.121 452 W CA -0.694 56.547 57.345 -0.173 0.000 1.208 452 W CB 1.890 31.213 29.460 -0.229 0.000 1.253 452 W HN 0.264 nan 8.180 nan 0.000 0.533 453 V N 4.823 124.773 119.914 0.059 0.000 2.378 453 V HA 0.134 4.254 4.120 -0.000 0.000 0.288 453 V C 0.186 176.161 176.094 -0.199 0.000 1.016 453 V CA -0.908 61.343 62.300 -0.083 0.000 0.840 453 V CB 1.021 32.821 31.823 -0.039 0.000 0.994 453 V HN 0.677 nan 8.190 nan 0.000 0.431 454 N N 1.989 120.324 118.700 -0.609 0.000 2.741 454 N HA -0.174 4.566 4.740 -0.000 0.000 0.250 454 N C -0.249 175.158 175.510 -0.171 0.000 1.115 454 N CA 1.290 53.936 53.050 -0.673 0.000 0.724 454 N CB -1.164 37.271 38.487 -0.086 0.000 1.090 454 N HN 1.057 nan 8.380 nan 0.000 0.558 455 C N -4.092 115.051 119.300 -0.262 0.000 3.284 455 C HA 0.816 5.276 4.460 -0.000 0.000 0.348 455 C C -1.078 173.977 174.990 0.108 0.000 1.448 455 C CA -1.318 57.766 59.018 0.111 0.000 1.223 455 C CB 1.827 29.618 27.740 0.085 0.000 1.588 455 C HN 0.266 nan 8.230 nan 0.000 0.451 456 Y N -0.137 119.993 120.300 -0.283 0.000 2.592 456 Y HA 0.461 5.011 4.550 -0.000 0.000 0.334 456 Y C -0.355 174.974 175.900 -0.952 0.000 1.136 456 Y CA 0.389 58.107 58.100 -0.637 0.000 1.042 456 Y CB 1.359 39.764 38.460 -0.091 0.000 1.325 456 Y HN 1.023 nan 8.280 nan 0.000 0.457 457 D N 1.807 121.122 120.400 -1.808 0.000 2.772 457 D HA -0.137 4.503 4.640 -0.000 0.000 0.233 457 D C -0.935 175.127 176.300 -0.397 0.000 1.143 457 D CA 0.967 54.517 54.000 -0.751 0.000 0.700 457 D CB -1.054 39.826 40.800 0.133 0.000 1.076 457 D HN 0.159 nan 8.370 nan 0.000 0.430 458 V N 1.358 120.804 119.914 -0.780 0.000 2.339 458 V HA 0.293 4.413 4.120 -0.000 0.000 0.261 458 V C 0.501 176.614 176.094 0.030 0.000 1.058 458 V CA -0.216 61.980 62.300 -0.173 0.000 0.897 458 V CB -0.056 31.703 31.823 -0.107 0.000 1.052 458 V HN -0.021 nan 8.190 nan 0.000 0.480 459 F N 2.420 122.417 119.950 0.079 0.000 2.458 459 F HA 0.835 5.362 4.527 -0.000 0.000 0.330 459 F C 0.784 176.598 175.800 0.023 0.000 1.082 459 F CA -0.482 57.564 58.000 0.078 0.000 0.995 459 F CB 2.221 41.245 39.000 0.041 0.000 1.170 459 F HN 0.496 nan 8.300 nan 0.000 0.478 460 G N 0.155 109.040 108.800 0.141 0.000 2.731 460 G HA2 0.508 4.468 3.960 -0.000 0.000 0.298 460 G HA3 0.508 4.468 3.960 -0.000 0.000 0.298 460 G C -0.035 174.797 174.900 -0.112 0.000 1.424 460 G CA -0.330 44.779 45.100 0.014 0.000 1.029 460 G HN 0.870 nan 8.290 nan 0.000 0.518 461 A N 1.024 123.712 122.820 -0.221 0.000 2.125 461 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 461 A C 2.078 179.089 177.584 -0.954 0.000 1.156 461 A CA 1.794 53.538 52.037 -0.488 0.000 0.671 461 A CB -0.093 18.629 19.000 -0.464 0.000 0.794 461 A HN 0.579 nan 8.150 nan 0.000 0.459 462 Q N -0.066 119.310 119.800 -0.707 0.000 2.269 462 Q HA 0.133 4.473 4.340 -0.000 0.000 0.201 462 Q C 0.390 176.313 176.000 -0.128 0.000 0.946 462 Q CA 0.772 56.281 55.803 -0.491 0.000 0.877 462 Q CB 0.094 28.727 28.738 -0.175 0.000 0.963 462 Q HN 0.465 nan 8.270 nan 0.000 0.472 463 S N 2.301 117.937 115.700 -0.107 0.000 2.462 463 S HA 0.392 4.862 4.470 -0.000 0.000 0.294 463 S C -2.447 172.134 174.600 -0.032 0.000 1.144 463 S CA -1.388 56.795 58.200 -0.028 0.000 1.088 463 S CB 1.179 64.355 63.200 -0.041 0.000 1.009 463 S HN 0.066 nan 8.310 nan 0.000 0.484 464 P HA 0.266 nan 4.420 nan 0.000 0.269 464 P C -0.985 176.295 177.300 -0.033 0.000 1.215 464 P CA -0.234 62.834 63.100 -0.054 0.000 0.780 464 P CB 0.381 31.931 31.700 -0.251 0.000 0.898 465 F N 0.762 120.603 119.950 -0.182 0.000 2.574 465 F HA 0.664 5.191 4.527 -0.000 0.000 0.313 465 F C -0.499 175.254 175.800 -0.078 0.000 1.130 465 F CA 0.188 58.103 58.000 -0.142 0.000 0.936 465 F CB 2.059 41.019 39.000 -0.066 0.000 1.219 465 F HN 0.671 nan 8.300 nan 0.000 0.445 466 G N 2.250 110.608 108.800 -0.736 0.000 2.368 466 G HA2 0.480 4.440 3.960 -0.000 0.000 0.293 466 G HA3 0.480 4.440 3.960 -0.000 0.000 0.293 466 G C -1.556 173.110 174.900 -0.391 0.000 1.467 466 G CA -0.218 44.605 45.100 -0.462 0.000 0.804 466 G HN 1.013 nan 8.290 nan 0.000 0.535 467 G N -1.321 107.367 108.800 -0.186 0.000 2.434 467 G HA2 0.596 4.556 3.960 -0.000 0.000 0.330 467 G HA3 0.596 4.556 3.960 -0.000 0.000 0.330 467 G C -1.240 173.719 174.900 0.099 0.000 1.155 467 G CA -0.467 44.602 45.100 -0.052 0.000 0.917 467 G HN 0.437 nan 8.290 nan 0.000 0.493 468 Y N 0.513 120.750 120.300 -0.105 0.000 2.432 468 Y HA 0.406 4.956 4.550 -0.000 0.000 0.322 468 Y C 1.433 177.312 175.900 -0.035 0.000 1.246 468 Y CA -0.595 57.459 58.100 -0.078 0.000 1.268 468 Y CB 1.423 39.835 38.460 -0.081 0.000 1.276 468 Y HN 0.863 nan 8.280 nan 0.000 0.499 469 K N -0.307 120.150 120.400 0.095 0.000 1.867 469 K HA -0.337 3.983 4.320 -0.000 0.000 0.140 469 K C 0.730 177.350 176.600 0.034 0.000 1.408 469 K CA 1.971 58.286 56.287 0.047 0.000 0.461 469 K CB -1.063 31.476 32.500 0.065 0.000 0.594 469 K HN 0.680 nan 8.250 nan 0.000 0.888 470 M N 1.013 120.630 119.600 0.028 0.000 2.563 470 M HA 0.024 4.504 4.480 -0.000 0.000 0.231 470 M C 0.971 177.349 176.300 0.130 0.000 1.136 470 M CA 0.508 55.822 55.300 0.024 0.000 1.026 470 M CB 0.218 32.772 32.600 -0.077 0.000 1.597 470 M HN 0.307 nan 8.290 nan 0.000 0.495 471 S N 0.442 116.251 115.700 0.181 0.000 2.603 471 S HA 0.309 4.779 4.470 -0.000 0.000 0.220 471 S C 0.847 175.518 174.600 0.119 0.000 0.967 471 S CA 0.450 58.780 58.200 0.216 0.000 0.920 471 S CB 0.138 63.444 63.200 0.178 0.000 0.773 471 S HN 0.751 nan 8.310 nan 0.000 0.529 472 G N 0.687 109.539 108.800 0.086 0.000 2.346 472 G HA2 0.289 4.248 3.960 -0.000 0.000 0.294 472 G HA3 0.289 4.248 3.960 -0.000 0.000 0.294 472 G C -1.187 173.722 174.900 0.015 0.000 1.294 472 G CA -0.406 44.730 45.100 0.060 0.000 0.962 472 G HN 0.723 nan 8.290 nan 0.000 0.508 473 S N -1.185 114.517 115.700 0.005 0.000 2.536 473 S HA 1.000 5.470 4.470 -0.000 0.000 0.271 473 S C 0.300 174.883 174.600 -0.028 0.000 1.134 473 S CA 0.562 58.744 58.200 -0.030 0.000 0.897 473 S CB 1.555 64.735 63.200 -0.033 0.000 1.094 473 S HN 3.072 nan 8.310 nan 0.000 0.473 474 G N 1.837 110.606 108.800 -0.051 0.000 2.712 474 G HA2 0.152 4.112 3.960 -0.000 0.000 0.683 474 G HA3 0.152 4.112 3.960 -0.000 0.000 0.683 474 G C -1.462 173.414 174.900 -0.040 0.000 1.320 474 G CA -1.040 44.037 45.100 -0.039 0.000 0.847 474 G HN 0.835 nan 8.290 nan 0.000 0.553 475 R N 0.227 120.717 120.500 -0.017 0.000 2.744 475 R HA 0.613 4.953 4.340 -0.000 0.000 0.279 475 R C -0.272 176.053 176.300 0.042 0.000 0.977 475 R CA -0.732 55.356 56.100 -0.020 0.000 0.906 475 R CB 1.954 32.209 30.300 -0.075 0.000 1.197 475 R HN 0.758 nan 8.270 nan 0.000 0.463 476 E N 1.708 121.934 120.200 0.045 0.000 2.263 476 E HA 0.615 4.965 4.350 -0.000 0.000 0.264 476 E C -0.340 176.251 176.600 -0.015 0.000 0.923 476 E CA -0.894 55.528 56.400 0.036 0.000 0.802 476 E CB 1.792 31.504 29.700 0.019 0.000 1.228 476 E HN 0.329 nan 8.360 nan 0.000 0.417 477 L N -0.072 121.166 121.223 0.026 0.000 0.585 477 L HA -0.255 4.085 4.340 -0.000 0.000 0.356 477 L C 0.602 177.583 176.870 0.184 0.000 0.963 477 L CA 0.702 55.577 54.840 0.058 0.000 1.223 477 L CB -1.337 40.582 42.059 -0.234 0.000 0.011 477 L HN 1.003 nan 8.230 nan 0.000 0.091 478 G N 0.274 109.144 108.800 0.116 0.000 2.697 478 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.240 478 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.240 478 G C 0.399 175.499 174.900 0.334 0.000 1.346 478 G CA 0.930 46.193 45.100 0.270 0.000 0.887 478 G HN 1.170 nan 8.290 nan 0.000 0.569 479 E N -1.042 119.287 120.200 0.215 0.000 2.150 479 E HA -0.080 4.269 4.350 -0.000 0.000 0.193 479 E C 2.150 178.573 176.600 -0.296 0.000 0.985 479 E CA 1.601 57.811 56.400 -0.317 0.000 0.814 479 E CB -0.142 29.422 29.700 -0.228 0.000 0.752 479 E HN 0.629 nan 8.360 nan 0.000 0.466 480 Y N -0.097 120.175 120.300 -0.047 0.000 2.274 480 Y HA -0.070 4.480 4.550 -0.000 0.000 0.290 480 Y C 2.427 178.297 175.900 -0.049 0.000 1.145 480 Y CA 1.089 59.168 58.100 -0.035 0.000 1.203 480 Y CB -0.627 37.831 38.460 -0.004 0.000 0.984 480 Y HN 0.161 nan 8.280 nan 0.000 0.533 481 G N -0.254 108.643 108.800 0.162 0.000 2.535 481 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 481 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 481 G C 1.409 176.318 174.900 0.015 0.000 1.122 481 G CA 0.749 45.925 45.100 0.126 0.000 0.769 481 G HN 0.410 nan 8.290 nan 0.000 0.549 482 L N -0.887 120.224 121.223 -0.188 0.000 2.416 482 L HA 0.095 4.435 4.340 -0.000 0.000 0.216 482 L C 2.878 179.607 176.870 -0.235 0.000 1.098 482 L CA 0.181 54.790 54.840 -0.385 0.000 0.840 482 L CB -0.276 41.105 42.059 -1.129 0.000 0.981 482 L HN 0.186 nan 8.230 nan 0.000 0.462 483 Q N 0.711 120.436 119.800 -0.124 0.000 2.077 483 Q HA -0.234 4.106 4.340 -0.000 0.000 0.206 483 Q C 2.302 178.275 176.000 -0.045 0.000 0.989 483 Q CA 1.986 57.785 55.803 -0.006 0.000 0.853 483 Q CB -0.317 28.439 28.738 0.031 0.000 0.907 483 Q HN 0.566 nan 8.270 nan 0.000 0.418 484 A N -0.616 122.143 122.820 -0.101 0.000 2.209 484 A HA -0.086 4.234 4.320 -0.000 0.000 0.212 484 A C 0.781 178.110 177.584 -0.425 0.000 1.158 484 A CA 0.653 52.538 52.037 -0.255 0.000 0.742 484 A CB -0.215 18.587 19.000 -0.331 0.000 0.790 484 A HN 0.411 nan 8.150 nan 0.000 0.472 485 Y N -0.473 119.787 120.300 -0.068 0.000 2.555 485 Y HA 0.205 4.755 4.550 -0.000 0.000 0.259 485 Y C 0.248 176.137 175.900 -0.017 0.000 1.179 485 Y CA 0.034 58.102 58.100 -0.053 0.000 1.230 485 Y CB 0.631 39.041 38.460 -0.083 0.000 1.146 485 Y HN 0.075 nan 8.280 nan 0.000 0.526 486 T N 0.219 114.814 114.554 0.068 0.000 2.841 486 T HA 0.338 4.688 4.350 -0.000 0.000 0.283 486 T C -1.005 173.701 174.700 0.010 0.000 1.000 486 T CA -0.674 61.471 62.100 0.076 0.000 0.977 486 T CB 1.963 70.890 68.868 0.099 0.000 0.979 486 T HN -0.085 nan 8.240 nan 0.000 0.446 487 E N 2.213 122.435 120.200 0.037 0.000 2.145 487 E HA 0.499 4.848 4.350 -0.000 0.000 0.270 487 E C -1.012 175.599 176.600 0.019 0.000 0.906 487 E CA -0.584 55.827 56.400 0.018 0.000 0.761 487 E CB 0.968 30.696 29.700 0.046 0.000 1.116 487 E HN 0.332 nan 8.360 nan 0.000 0.408 488 V N 5.406 125.311 119.914 -0.015 0.000 2.461 488 V HA 0.292 4.412 4.120 -0.000 0.000 0.275 488 V C 0.174 176.278 176.094 0.016 0.000 1.047 488 V CA -0.403 61.901 62.300 0.007 0.000 0.955 488 V CB 1.035 32.840 31.823 -0.030 0.000 0.988 488 V HN 0.562 nan 8.190 nan 0.000 0.471 489 K N 3.279 123.699 120.400 0.034 0.000 2.292 489 K HA 0.532 4.852 4.320 -0.000 0.000 0.257 489 K C -0.632 175.925 176.600 -0.072 0.000 0.940 489 K CA -0.389 55.888 56.287 -0.016 0.000 0.811 489 K CB 1.611 34.108 32.500 -0.006 0.000 1.120 489 K HN 0.681 nan 8.250 nan 0.000 0.428 490 T N 2.913 117.395 114.554 -0.121 0.000 2.795 490 T HA 0.321 4.670 4.350 -0.000 0.000 0.282 490 T C -0.817 173.692 174.700 -0.317 0.000 0.980 490 T CA -0.540 61.438 62.100 -0.204 0.000 1.012 490 T CB 1.212 69.986 68.868 -0.158 0.000 0.936 490 T HN 0.306 nan 8.240 nan 0.000 0.457 491 V N 3.922 123.486 119.914 -0.582 0.000 2.444 491 V HA 0.469 4.589 4.120 -0.000 0.000 0.294 491 V C 0.057 175.774 176.094 -0.628 0.000 1.022 491 V CA -0.717 61.176 62.300 -0.679 0.000 0.850 491 V CB 1.803 32.981 31.823 -1.075 0.000 0.992 491 V HN 0.950 nan 8.190 nan 0.000 0.426 492 T N 4.627 118.982 114.554 -0.333 0.000 2.815 492 T HA 0.555 4.905 4.350 -0.000 0.000 0.289 492 T C -0.398 174.279 174.700 -0.038 0.000 1.000 492 T CA -0.340 61.639 62.100 -0.202 0.000 0.958 492 T CB 1.448 70.187 68.868 -0.215 0.000 0.944 492 T HN 0.337 nan 8.240 nan 0.000 0.442 493 V N 4.026 123.995 119.914 0.091 0.000 2.459 493 V HA 0.441 4.561 4.120 -0.000 0.000 0.295 493 V C 0.415 176.715 176.094 0.343 0.000 1.029 493 V CA -1.140 61.287 62.300 0.213 0.000 0.874 493 V CB 1.694 33.673 31.823 0.259 0.000 0.985 493 V HN 0.733 nan 8.190 nan 0.000 0.438 494 K N 4.035 124.610 120.400 0.292 0.000 2.379 494 K HA 0.446 4.766 4.320 -0.000 0.000 0.284 494 K C -0.475 176.143 176.600 0.030 0.000 1.044 494 K CA -0.203 56.164 56.287 0.133 0.000 0.974 494 K CB 0.949 33.510 32.500 0.102 0.000 0.962 494 K HN 0.682 nan 8.250 nan 0.000 0.474 495 V N 2.069 121.931 119.914 -0.086 0.000 2.960 495 V HA 0.416 4.536 4.120 -0.000 0.000 0.315 495 V C -2.168 173.867 176.094 -0.099 0.000 1.087 495 V CA -1.975 60.300 62.300 -0.042 0.000 0.982 495 V CB 1.413 33.240 31.823 0.007 0.000 1.039 495 V HN 0.671 nan 8.190 nan 0.000 0.437 496 P HA -0.084 nan 4.420 nan 0.000 0.215 496 P C 0.071 177.324 177.300 -0.079 0.000 1.157 496 P CA 1.380 64.441 63.100 -0.065 0.000 0.874 496 P CB 0.135 31.810 31.700 -0.043 0.000 0.790 497 Q N -1.139 118.618 119.800 -0.071 0.000 2.371 497 Q HA 0.137 4.477 4.340 -0.000 0.000 0.244 497 Q C -1.133 174.835 176.000 -0.054 0.000 0.882 497 Q CA -0.724 55.039 55.803 -0.067 0.000 0.866 497 Q CB 0.975 29.684 28.738 -0.049 0.000 1.399 497 Q HN -0.227 nan 8.270 nan 0.000 0.432 498 K N 3.797 124.164 120.400 -0.054 0.000 2.368 498 K HA 0.281 4.601 4.320 -0.000 0.000 0.282 498 K C -1.152 175.440 176.600 -0.013 0.000 1.035 498 K CA 0.307 56.581 56.287 -0.021 0.000 0.973 498 K CB 0.541 33.042 32.500 0.002 0.000 0.957 498 K HN 0.710 nan 8.250 nan 0.000 0.474 499 N N 1.316 120.009 118.700 -0.012 0.000 2.262 499 N HA 0.128 4.868 4.740 -0.000 0.000 0.295 499 N C -0.575 174.932 175.510 -0.004 0.000 1.161 499 N CA -0.486 52.558 53.050 -0.010 0.000 0.767 499 N CB 1.814 40.289 38.487 -0.021 0.000 1.499 499 N HN 0.686 nan 8.380 nan 0.000 0.476 500 S N 0.000 115.700 115.700 -0.000 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.202 58.200 0.003 0.000 1.107 500 S CB 0.000 63.203 63.200 0.005 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517